Geometry & MOs

Info

ID:	61788
PubChem CID:	26713117
Reduced:	ClNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	375.123736
ΔH_f, kcal/mol:	-60.33
Dipole, Da:	5.04
IP(EA), eV:	-9.17(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations