Geometry & MOs

Info

ID:	206102
PubChem CID:	80203157
Reduced:	Cl2O2H16C17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	193.126678
ΔH_f, kcal/mol:	-61.78
Dipole, Da:	4.14
IP(EA), eV:	-8.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-fluoro-4-methylphenyl)ethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)C(=O)CC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations