Geometry & MOs

Info

ID:	294034
PubChem CID:	117423036
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	-72.6
Dipole, Da:	3.26
IP(EA), eV:	-8.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=CC(=C1C3CCNC3)Cl)OCO2

DOS

IR

Vibrations