Geometry & MOs

Info

ID:	72115
PubChem CID:	48415827
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-28.79
Dipole, Da:	5.69
IP(EA), eV:	-8.8(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC(C)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations