Geometry & MOs

Info

ID:	413508
PubChem CID:	135086457
Reduced:	O3C20H22 (1)
Stoich.:	A3B20C22 (1)
Weight, g/mol:	281.105193
ΔH_f, kcal/mol:	-97.47
Dipole, Da:	4.23
IP(EA), eV:	-9.71(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxybenzoyl)-N-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C[C@@]2([C@H](CCCC2=C(C1=O)C)OC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations