Geometry & MOs

Info

ID:	321307
PubChem CID:	126665752
Reduced:	F3O3N5C31H32 (1)
Stoich.:	A3B3C5D31E32 (1)
Weight, g/mol:	508.208611
ΔH_f, kcal/mol:	-190.25
Dipole, Da:	5.94
IP(EA), eV:	-8.48(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[phenyl(propoxy)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)CN(C)C4=CC=CC=C4

DOS

IR

Vibrations