Geometry & MOs

Info

ID:	423583
PubChem CID:	135119770
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-152.98
Dipole, Da:	7.19
IP(EA), eV:	-9.45(-0.3)
Spin(S_z, 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]-(2,3-dimethyl-1H-indol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CC[C@]([C@@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations