Geometry & MOs

Info

ID:	449332
PubChem CID:	135297678
Reduced:	N2O2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	492.233683
ΔH_f, kcal/mol:	-74.47
Dipole, Da:	5.66
IP(EA), eV:	-9.37(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-4-[(8S)-3-(2,6-difluorophenyl)-5-ethynyl-8-propan-2-yl-6,7-dihydro-5H-cinnolin-8-yl]-N-(2-hydroxyethyl)-2-methyl-5-(methylideneamino)penta-2,4-dienamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(C=C1)OCC(=O)N

DOS

IR

Vibrations