Geometry & MOs

Info

ID:	321418
PubChem CID:	126665979
Reduced:	O3F4N6H26C28 (1)
Stoich.:	A3B4C6D26E28 (1)
Weight, g/mol:	521.240245
ΔH_f, kcal/mol:	-216.72
Dipole, Da:	8.79
IP(EA), eV:	-9.43(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CCC(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)N5C(=O)C=CNC5=O

DOS

IR

Vibrations