Geometry & MOs

Info

ID:	268399
PubChem CID:	103599253
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	17.96
Dipole, Da:	1.91
IP(EA), eV:	-8.06(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(C)CCCOC1=CC=C(C=C1)NC(=O)C=CC2=CN(C3=CC=CC=C32)CCC#N

DOS

IR

Vibrations