Geometry & MOs

Info

ID:	202961
PubChem CID:	79753153
Reduced:	BrSN3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	268.121178
ΔH_f, kcal/mol:	42.65
Dipole, Da:	4.56
IP(EA), eV:	-8.82(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CCCNC(CC1=NC=CN1C)CSC2=CC=C(C=C2)Br

DOS

IR

Vibrations