Geometry & MOs

Info

ID:	229892
PubChem CID:	87569455
Reduced:	ClO2N5H14C16 (1)
Stoich.:	AB2C5D14E16 (1)
Weight, g/mol:	387.158292
ΔH_f, kcal/mol:	16.17
Dipole, Da:	3.52
IP(EA), eV:	-9.17(-1.4)
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-(1H-indol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC(=CC(=C2)C3=NC(=NC=C3)Cl)C#N)C(=O)O

DOS

IR

Vibrations