Geometry & MOs

Info

ID:	79904
PubChem CID:	49831196
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	525.197631
ΔH_f, kcal/mol:	-110.26
Dipole, Da:	4.87
IP(EA), eV:	-8.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-yl-1H-pyridin-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCN(CC(CN1C=C(C(=O)NC1=O)C)O)C2=CC=CC=C2

DOS

IR

Vibrations