Geometry & MOs

Info

ID:	266871
PubChem CID:	103579835
Reduced:	BrN2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	285.03644
ΔH_f, kcal/mol:	20.15
Dipole, Da:	3.21
IP(EA), eV:	-8.63(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-bromo-3,5-dimethylanilino)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(C)CC#N

DOS

IR

Vibrations