Geometry & MOs

Info

ID:	21093
PubChem CID:	587171
Reduced:	ClO2N6H15C19 (1)
Stoich.:	AB2C6D15E19 (1)
Weight, g/mol:	394.094501
ΔH_f, kcal/mol:	18.74
Dipole, Da:	4.53
IP(EA), eV:	-9.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2-amino-6-oxo-3H-purin-7-yl)methyl]phenyl]-4-chlorobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)Cl)CN3C=NC4=C3C(=O)N=C(N4)N

DOS

IR

Vibrations