Geometry & MOs

Info

ID:	277207
PubChem CID:	103827298
Reduced:	NOC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	223.112777
ΔH_f, kcal/mol:	-66.91
Dipole, Da:	3.49
IP(EA), eV:	-8.98(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-chloro-N-[1-(4-ethylphenyl)ethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(C)NCCCCO

DOS

IR

Vibrations