Geometry & MOs

Info

ID:	336805
PubChem CID:	127255812
Reduced:	N2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	295.056861
ΔH_f, kcal/mol:	-3.0
Dipole, Da:	2.77
IP(EA), eV:	-8.31(1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)N1C=CC=C1C2CCNCC2

DOS

IR

Vibrations