Geometry & MOs

Info

ID:	126194
PubChem CID:	50955099
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	295.14331
ΔH_f, kcal/mol:	-0.1
Dipole, Da:	2.36
IP(EA), eV:	-8.45(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-(6-methylpurin-9-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2C)C(=O)N(C)C(C)C3=NOC=C3

DOS

IR

Vibrations