Geometry & MOs

Info

ID:	419924
PubChem CID:	135109817
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-79.1
Dipole, Da:	0.23
IP(EA), eV:	-9.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(O1)C(=O)N)CN2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations