Geometry & MOs

Info

ID:	255519
PubChem CID:	103132672
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	249.220498
ΔH_f, kcal/mol:	-166.97
Dipole, Da:	6.42
IP(EA), eV:	-9.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-ethyl-2-(1-methylpyrazol-3-yl)cyclohexyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=CC=CC(=C2)CC(=O)O

DOS

IR

Vibrations