Geometry & MOs

Info

ID:	422925
PubChem CID:	135118623
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	-26.78
Dipole, Da:	2.54
IP(EA), eV:	-8.39(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(C=C2C=C1)CO)N3C[C@H]([C@@H](C3)O)CC4=CC=CC=N4

DOS

IR

Vibrations