Geometry & MOs

Info

ID:	204724
PubChem CID:	80000315
Reduced:	NO2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	218.121927
ΔH_f, kcal/mol:	-129.34
Dipole, Da:	3.91
IP(EA), eV:	-9.34(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-(3-fluorophenyl)pyrazole

Drug info:

PubChemData

Smile

CCC1(CN(C1)C(=O)C23CC4CC(C2)(CC(C4)(C3)C)C)O

DOS

IR

Vibrations