Geometry & MOs

Info

ID:	423738
PubChem CID:	135120135
Reduced:	ON5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	325.166938
ΔH_f, kcal/mol:	74.44
Dipole, Da:	1.47
IP(EA), eV:	-9.02(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=CC2=O)CN(C)CC3=CC(=CC=C3)N4C=CC=N4

DOS

IR

Vibrations