Geometry & MOs

Info

ID:	418813
PubChem CID:	135106864
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-126.14
Dipole, Da:	3.96
IP(EA), eV:	-9.05(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-methyl-7-(2,5,6-trimethylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(=O)NCCC(=O)N[C@H]2CNC[C@@H]2OCC3=CC(=CC=C3)OC4=CC=C1C=C4

DOS

IR

Vibrations