Geometry & MOs

Info

ID:

423740

PubChem CID:

135120138

Reduced:

N6O7C35H46 (1)

Stoich.:

A6B7C35D46 (1)

Weight, g/mol:

336.158626

ΔHf, kcal/mol:

-292.68

Dipole, Da:

4.23

IP(EA), eV:

 -9.32(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2-methyl-4-oxo-1H-pyrimidin-6-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O

DOS

IR

Vibrations