Geometry & MOs

Info

ID:	229680
PubChem CID:	87568416
Reduced:	FN2O4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	454.189257
ΔH_f, kcal/mol:	-119.08
Dipole, Da:	7.69
IP(EA), eV:	-8.95(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-phenylmethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C(=CC1=CC=C(C=C1)/C=C/C(=O)NO)C2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations