Geometry & MOs

Info

ID:	277225
PubChem CID:	103827358
Reduced:	N2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	223.112777
ΔH_f, kcal/mol:	30.26
Dipole, Da:	2.66
IP(EA), eV:	-9.17(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-chloro-N-[(4-propan-2-ylphenyl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNCCCC#N

DOS

IR

Vibrations