Geometry & MOs

Info

ID:	43600
PubChem CID:	10321524
Reduced:	N2O3H26C29 (1)
Stoich.:	A2B3C26D29 (1)
Weight, g/mol:	450.237939
ΔH_f, kcal/mol:	-3.39
Dipole, Da:	4.45
IP(EA), eV:	-9.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1,3-bis(cyclopropylmethyl)-7-[(4-methoxyphenyl)methyl]-2,6-dioxopurin-8-yl]-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NC3C4C3CN(C4)CC5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations