Geometry & MOs

Info

ID:	133211
PubChem CID:	51494059
Reduced:	OSN5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	35.32
Dipole, Da:	2.34
IP(EA), eV:	-8.69(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N=C(N2)[C@@H]3CCCN3C(=O)C4=C(N=NS4)C

DOS

IR

Vibrations