Geometry & MOs

Info

ID:	84004
PubChem CID:	49863161
Reduced:	ClO2N5H14C19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	253.09636
ΔH_f, kcal/mol:	32.41
Dipole, Da:	10.11
IP(EA), eV:	-9.36(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-phenyl-7H-purin-6-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2NC(=N3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations