Geometry & MOs

Info

ID:	297329
PubChem CID:	117615186
Reduced:	N5C23H29 (1)
Stoich.:	A5B23C29 (1)
Weight, g/mol:	404.257612
ΔH_f, kcal/mol:	62.68
Dipole, Da:	6.25
IP(EA), eV:	-8.73(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CN2CCC(CC2)N3C4=CC=CC=C4N=C3[C@@H]5CCNC5

DOS

IR

Vibrations