Geometry & MOs

Info

ID:	207470
PubChem CID:	80401245
Reduced:	ClNOC15H26 (1)
Stoich.:	ABCD15E26 (1)
Weight, g/mol:	285.24565
ΔH_f, kcal/mol:	-98.47
Dipole, Da:	3.34
IP(EA), eV:	-9.4(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyclohexyl-3-(3,4-dimethylphenyl)-N-propylprop-2-en-1-amine

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C(CC2CCCCC2)Cl

DOS

IR

Vibrations