Geometry & MOs

Info

ID:	266652
PubChem CID:	103577820
Reduced:	OCl2N2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	239.087705
ΔH_f, kcal/mol:	-23.17
Dipole, Da:	6.1
IP(EA), eV:	-9.97(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chloro-4-fluorophenyl)ethyl]pent-1-yn-3-amine

Drug info:

PubChemData

Smile

CC(=CCNC(=O)C1=C(N=C(C=C1)Cl)Cl)C

DOS

IR

Vibrations