Geometry & MOs

Info

ID:	370556
PubChem CID:	127339691
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	383.193295
ΔH_f, kcal/mol:	-85.01
Dipole, Da:	3.21
IP(EA), eV:	-9.25(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)C2=CN(N=C2)C)NC(=O)C3CCCCC3

DOS

IR

Vibrations