Geometry & MOs

Info

ID:	317495
PubChem CID:	126639334
Reduced:	ON3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	-0.22
Dipole, Da:	3.12
IP(EA), eV:	-9.01(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1NC2=CC=CC=C2C(=O)N1N

DOS

IR

Vibrations