Geometry & MOs

Info

ID:	161907
PubChem CID:	57393024
Reduced:	N2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	459.248169
ΔH_f, kcal/mol:	55.75
Dipole, Da:	1.65
IP(EA), eV:	-8.28(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-N-ethyl-5-(4-hydroxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)-4-[3-(4-methylpiperazin-1-yl)propanoylamino]-2H-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3C=C2)C

DOS

IR

Vibrations