Geometry & MOs

Info

ID:	421421
PubChem CID:	135115959
Reduced:	N3C20H21 (1)
Stoich.:	A3B20C21 (1)
Weight, g/mol:	350.176106
ΔH_f, kcal/mol:	70.63
Dipole, Da:	3.32
IP(EA), eV:	-8.45(-0.28)
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]-3-(2-chlorophenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=N2)N3CC(C3)C4=CC=CC=N4)C)C

DOS

IR

Vibrations