Geometry & MOs

Info

ID:	229806
PubChem CID:	87569126
Reduced:	NO2H9C10 (3)
Stoich.:	AB2C9D10 (3)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-82.5
Dipole, Da:	2.72
IP(EA), eV:	-8.94(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC(=O)C(=CC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)/C=C/C(=O)NO)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations