Geometry & MOs

Info

ID:	71889
PubChem CID:	48415579
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-27.08
Dipole, Da:	10.89
IP(EA), eV:	-8.56(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloro-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations