Geometry & MOs

Info

ID:	178436
PubChem CID:	76330671
Reduced:	OCl2N2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	373.143568
ΔH_f, kcal/mol:	-22.02
Dipole, Da:	4.37
IP(EA), eV:	-9.06(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-(5-methylhexan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)NC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations