Geometry & MOs

Info

ID:	61698
PubChem CID:	26711903
Reduced:	ClNO2C9H9 (2)
Stoich.:	ABC2D9E9 (2)
Weight, g/mol:	395.069114
ΔH_f, kcal/mol:	-140.78
Dipole, Da:	2.54
IP(EA), eV:	-9.15(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(2,4-dichlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NCC(=O)NCC2=C(C=C(C=C2)Cl)Cl)OC

DOS

IR

Vibrations