Geometry & MOs

Info

ID:	200780
PubChem CID:	79443248
Reduced:	ClNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	313.090328
ΔH_f, kcal/mol:	48.93
Dipole, Da:	2.17
IP(EA), eV:	-9.12(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-chlorophenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]cyclopropanamine

Drug info:

PubChemData

Smile

C1CC1NCC(CC2=CC=CC=C2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations