Geometry & MOs

Info

ID:	229321
PubChem CID:	87567406
Reduced:	N3O4C14H15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-118.46
Dipole, Da:	5.14
IP(EA), eV:	-9.03(-1.2)
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-(3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C/C(=C\1/C(=O)C=CC=C1O)/NC(CC2=CN=CN2)C(=O)O

DOS

IR

Vibrations