Geometry & MOs

Info

ID:	84210
PubChem CID:	49865041
Reduced:	SN4O6C22H22 (1)
Stoich.:	AB4C6D22E22 (1)
Weight, g/mol:	504.321275
ΔH_f, kcal/mol:	-21.86
Dipole, Da:	5.77
IP(EA), eV:	-9.69(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(dimethylamino)propyl]-3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C)C3=C(C=C(C=C3[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations