Geometry & MOs

Info

ID:	84003
PubChem CID:	49863159
Reduced:	ON3H14C16 (2)
Stoich.:	AB3C14D16 (2)
Weight, g/mol:	379.083602
ΔH_f, kcal/mol:	20.11
Dipole, Da:	6.89
IP(EA), eV:	-8.55(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[8-(3-chlorophenyl)-7H-purin-6-yl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)NCCNC(=O)NC4=CC5=C(C=C4)C6=CC=CC=C6N=C5C

DOS

IR

Vibrations