Geometry & MOs

Info

ID:	131534
PubChem CID:	51222120
Reduced:	ClN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-155.63
Dipole, Da:	5.12
IP(EA), eV:	-9.81(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-methoxyphenyl)-N-methyl-N-[1-(3-nitrophenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC(=O)NC(C)(C)C)NC(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations