Geometry & MOs

Info

ID:	359018
PubChem CID:	127297262
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	330.144038
ΔH_f, kcal/mol:	54.49
Dipole, Da:	6.38
IP(EA), eV:	-9.11(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano(cyclopropyl)methyl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)NC(C#N)C3CC3)NN=C2

DOS

IR

Vibrations