Geometry & MOs

Info

ID:	429707
PubChem CID:	135169758
Reduced:	ClON3H14C21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	525.12917
ΔH_f, kcal/mol:	96.83
Dipole, Da:	3.15
IP(EA), eV:	-9.12(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-[4-(methylaminomethyl)pyrazol-1-yl]phenyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)C5=CC=CC=C5O4)Cl

DOS

IR

Vibrations