Geometry & MOs

Info

ID:	206195
PubChem CID:	80217995
Reduced:	BrNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	294.267114
ΔH_f, kcal/mol:	-28.16
Dipole, Da:	1.33
IP(EA), eV:	-9.14(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(aminomethyl)cyclohexyl]-N-(4,4-dimethylcyclohexyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CCNC(C1CCCCC1)C2=CC=C(O2)Br

DOS

IR

Vibrations