Geometry & MOs

Info

ID:	429568
PubChem CID:	135169617
Reduced:	BrOF3N8H14C21 (1)
Stoich.:	ABC3D8E14F21 (1)
Weight, g/mol:	480.152158
ΔH_f, kcal/mol:	-4.6
Dipole, Da:	3.94
IP(EA), eV:	-8.17(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-cyclopropyloxy-5-(methyliminomethyl)pyridin-3-yl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1C(=CC(=C(N1)N2N=CC=N2)Br)NC(=O)C3=C(N(N=C3)C4=CC=CC5=C4C=CC=N5)C(F)(F)F

DOS

IR

Vibrations