Geometry & MOs

Info

ID:	447310
PubChem CID:	135281910
Reduced:	FO3N6C31H33 (1)
Stoich.:	AB3C6D31E33 (1)
Weight, g/mol:	325.215413
ΔH_f, kcal/mol:	-68.01
Dipole, Da:	5.78
IP(EA), eV:	-8.27(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-propan-2-yl-2-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1CCC(C2=CC(=C(C=C2)F)NC(=O)[C@H]3C[C@H](CN3C(=O)NC4=CC=C(C=C4)N)O)(C5=CC=CC(=C5)C#N)N

DOS

IR

Vibrations