Geometry & MOs

Info

ID:	126985
PubChem CID:	50986565
Reduced:	ClOC17H24 (2)
Stoich.:	ABC17D24 (2)
Weight, g/mol:	265.103811
ΔH_f, kcal/mol:	-149.21
Dipole, Da:	3.43
IP(EA), eV:	-9.3(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl)C)C

DOS

IR

Vibrations