Geometry & MOs

Info

ID:	197744
PubChem CID:	78990931
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	253.240565
ΔH_f, kcal/mol:	-87.3
Dipole, Da:	4.59
IP(EA), eV:	-9.04(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C1CCCN(CCC1)C(=O)CC2=CC=CC=C2O

DOS

IR

Vibrations