Geometry & MOs

Info

ID:	322908
PubChem CID:	126671562
Reduced:	BrNC8H12 (1)
Stoich.:	ABC8D12 (1)
Weight, g/mol:	143.131014
ΔH_f, kcal/mol:	-7.62
Dipole, Da:	4.3
IP(EA), eV:	-8.25(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4S)-4-methoxy-2-methylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC(N1)Br

DOS

IR

Vibrations