Geometry & MOs

Info

ID:	30925
PubChem CID:	853809
Reduced:	BrNOH14C15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-4.8
Dipole, Da:	5.34
IP(EA), eV:	-9.08(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-(tert-butylcarbamoyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C2=CC=CC=C2)C)Br

DOS

IR

Vibrations