Geometry & MOs

Info

ID:	261808
PubChem CID:	103252336
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	243.219829
ΔH_f, kcal/mol:	-87.14
Dipole, Da:	3.49
IP(EA), eV:	-8.2(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(4-methylhexan-2-ylamino)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C)CNC1=CC(=C(C=C1)OC)Br

DOS

IR

Vibrations