Geometry & MOs

Info

ID:	280837
PubChem CID:	103851549
Reduced:	ClFN2O2C16H24 (1)
Stoich.:	ABC2D2E16F24 (1)
Weight, g/mol:	249.220498
ΔH_f, kcal/mol:	-164.62
Dipole, Da:	2.96
IP(EA), eV:	-9.41(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(C)(C)NCC1=CC(=C(C=C1)F)Cl

DOS

IR

Vibrations