Geometry & MOs

Info

ID:	447567
PubChem CID:	135283896
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	313.103811
ΔH_f, kcal/mol:	-37.56
Dipole, Da:	3.96
IP(EA), eV:	-7.75(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[4-(trifluoromethyl)pyridin-2-yl]pyrazole-1-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=C(C=C1)CC=C)OC(C)C

DOS

IR

Vibrations