Geometry & MOs

Info

ID:

422144

PubChem CID:

135117289

Reduced:

N3O4C16H24 (2)

Stoich.:

A3B4C16D24 (2)

Weight, g/mol:

332.221226

ΔHf, kcal/mol:

-361.83

Dipole, Da:

6.52

IP(EA), eV:

 -9.4(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)CCOC)CC3=CC=CC=C3)[C@@H](C)O

DOS

IR

Vibrations