Geometry & MOs

Info

ID:	72011
PubChem CID:	48415714
Reduced:	ClO2N4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-44.06
Dipole, Da:	3.82
IP(EA), eV:	-9.14(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations