Geometry & MOs

Info

ID:	196947
PubChem CID:	78899967
Reduced:	NSO4C23H33 (1)
Stoich.:	ABC4D23E33 (1)
Weight, g/mol:	409.272927
ΔH_f, kcal/mol:	-183.8
Dipole, Da:	9.35
IP(EA), eV:	-9.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-tert-butyl-2-methylpyrazole-3-carbonyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)CS(=O)(=O)C3CCCC3

DOS

IR

Vibrations