Geometry & MOs

Info

ID:	247156
PubChem CID:	103068262
Reduced:	SN2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	44.77
Dipole, Da:	3.1
IP(EA), eV:	-8.72(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C(CN)CSC1=CC=CC=N1

DOS

IR

Vibrations