Geometry & MOs

Info

ID:	370614
PubChem CID:	127339764
Reduced:	ON2C10H16 (2)
Stoich.:	AB2C10D16 (2)
Weight, g/mol:	397.208945
ΔH_f, kcal/mol:	-93.15
Dipole, Da:	2.7
IP(EA), eV:	-9.1(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C(C)NC(=O)C3CCCCC3

DOS

IR

Vibrations