Geometry & MOs

Info

ID:	259046
PubChem CID:	103158082
Reduced:	BrNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-52.98
Dipole, Da:	1.82
IP(EA), eV:	-9.32(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylcyclohexyl) 4-amino-3-methoxybutanoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Br)NCC(CC2CCCC2)O

DOS

IR

Vibrations