Geometry & MOs

Info

ID:	84309
PubChem CID:	49865676
Reduced:	N2O6H18C27 (1)
Stoich.:	A2B6C18D27 (1)
Weight, g/mol:	492.26376
ΔH_f, kcal/mol:	-11.58
Dipole, Da:	3.16
IP(EA), eV:	-9.47(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[3-[[1-(4-cyanophenyl)benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations