Geometry & MOs

Info

ID:	414752
PubChem CID:	135087714
Reduced:	N3O5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-164.27
Dipole, Da:	4.22
IP(EA), eV:	-9.15(-0.35)
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]-(2,4-dimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N2CCC3(CC2)CN(C(=O)CCO3)CC4=NC=CC(=C4)OC

DOS

IR

Vibrations