Geometry & MOs

Info

ID:	261474
PubChem CID:	103235379
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	333.03644
ΔH_f, kcal/mol:	-86.07
Dipole, Da:	1.78
IP(EA), eV:	-8.9(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2,6-dimethylanilino)-2-phenylacetic acid

Drug info:

PubChemData

Smile

CCC(=CCNC1CN2CCC1CC2)C(=O)OC

DOS

IR

Vibrations