Geometry & MOs

Info

ID:	321419
PubChem CID:	126665986
Reduced:	OF3N5C29H30 (1)
Stoich.:	AB3C5D29E30 (1)
Weight, g/mol:	541.208945
ΔH_f, kcal/mol:	-90.32
Dipole, Da:	2.36
IP(EA), eV:	-9.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[(cyclopropylmethylamino)-(3-ethenylphenyl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(C1=CC=CC=C1)C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F

DOS

IR

Vibrations