Geometry & MOs

Info

ID:	364018
PubChem CID:	127313689
Reduced:	NOC5H5 (4)
Stoich.:	ABC5D5 (4)
Weight, g/mol:	363.169525
ΔH_f, kcal/mol:	-92.32
Dipole, Da:	2.64
IP(EA), eV:	-8.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-6-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1CN(C(=O)C1C(=O)N2CCC3=CN=CN=C3C2)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations