Geometry & MOs

Info

ID:	206188
PubChem CID:	80217988
Reduced:	BrNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	298.262028
ΔH_f, kcal/mol:	-6.49
Dipole, Da:	1.73
IP(EA), eV:	-9.19(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4,4-dimethylcyclohexyl)-methylamino]-2-methyl-2-(methylamino)butanoate

Drug info:

PubChemData

Smile

CCNC(C1CCC1)C2=CC=C(O2)Br

DOS

IR

Vibrations