Geometry & MOs

Info

ID:	247178
PubChem CID:	103068499
Reduced:	BrNSC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	33.46
Dipole, Da:	2.18
IP(EA), eV:	-8.63(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCNCC(=C)CSC1=CC(=CC=C1)Br

DOS

IR

Vibrations