Geometry & MOs

Info

ID:	264282
PubChem CID:	103450226
Reduced:	FO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	252.102941
ΔH_f, kcal/mol:	-124.29
Dipole, Da:	3.32
IP(EA), eV:	-9.94(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-ethylpyrazol-3-yl)-(cyclohepten-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)(C(=O)C2=CC=C(C=C2)F)O

DOS

IR

Vibrations