Geometry & MOs

Info

ID:	143008
PubChem CID:	53131549
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	397.153875
ΔH_f, kcal/mol:	-31.8
Dipole, Da:	5.35
IP(EA), eV:	-8.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanophenyl)-2-(3-ethyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N(C3=O)CC(C)C

DOS

IR

Vibrations