Geometry & MOs

Info

ID:	299356
PubChem CID:	117682724
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	357.108897
ΔH_f, kcal/mol:	-69.66
Dipole, Da:	2.36
IP(EA), eV:	-8.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-quinolin-7-yl-5-(trifluoromethyl)-4H-pyrazol-3-ol

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)N(C(=O)O2)CCCCN3CCN(CC3)C4=CC=C(C=C4)N

DOS

IR

Vibrations