Geometry & MOs

Info

ID:	247208
PubChem CID:	103068734
Reduced:	ClNSC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	289.195426
ΔH_f, kcal/mol:	16.24
Dipole, Da:	3.99
IP(EA), eV:	-8.64(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCNCC(=C)CSCC1=CC=C(C=C1)Cl

DOS

IR

Vibrations