Geometry & MOs

Info

ID:	31050
PubChem CID:	854298
Reduced:	BrNOH14C15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-11.38
Dipole, Da:	2.0
IP(EA), eV:	-8.78(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(cyclohexanecarbonylamino)-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CC2=CC=CC=C2)Br

DOS

IR

Vibrations