Geometry & MOs

Info

ID:	327200
PubChem CID:	126689201
Reduced:	PF4H11C14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	536.203525
ΔH_f, kcal/mol:	-175.28
Dipole, Da:	2.2
IP(EA), eV:	-8.93(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-(cyclopropylmethoxy-hydroxy-phenylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(CC(F)(F)F)C2=CC=CC=C2F

DOS

IR

Vibrations