Geometry & MOs

Info

ID:	329555
PubChem CID:	126738167
Reduced:	N3C11H17 (1)
Stoich.:	A3B11C17 (1)
Weight, g/mol:	706.309053
ΔH_f, kcal/mol:	50.7
Dipole, Da:	0.4
IP(EA), eV:	-8.59(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-[[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1-methylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C/C(=N/N)/C(=N)C1)C(C)C

DOS

IR

Vibrations