Geometry & MOs

Info

ID:	247139
PubChem CID:	103068115
Reduced:	BrNSC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	255.089327
ΔH_f, kcal/mol:	43.11
Dipole, Da:	3.48
IP(EA), eV:	-8.89(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3,4-difluorophenyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

C=C(CN)CSC1=CC=CC=C1Br

DOS

IR

Vibrations