Geometry & MOs

Info

ID:	213422
PubChem CID:	81063662
Reduced:	BrNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	297.230394
ΔH_f, kcal/mol:	-160.69
Dipole, Da:	3.53
IP(EA), eV:	-9.56(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-tert-butylcyclohexanecarbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)COC1=CC(=CC=C1)Br

DOS

IR

Vibrations