Geometry & MOs

Info

ID:	268185
PubChem CID:	103598265
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-124.1
Dipole, Da:	7.35
IP(EA), eV:	-8.57(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-(3-morpholin-4-ylanilino)-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C=CC2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations