Geometry & MOs

Info

ID:	432954
PubChem CID:	135173091
Reduced:	ON10C27H32 (1)
Stoich.:	AB10C27D32 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	133.94
Dipole, Da:	3.77
IP(EA), eV:	-8.04(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-(2-piperidin-2-yl-2,3-dihydrobenzimidazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C(NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/N=C5C=NC=C(C5=N4)N6CCN(CC6)C)/NN3)O

DOS

IR

Vibrations