Geometry & MOs

Info

ID:	267392
PubChem CID:	103582090
Reduced:	BrN3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	299.05209
ΔH_f, kcal/mol:	37.97
Dipole, Da:	5.25
IP(EA), eV:	-8.22(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-bromo-3,5-dimethylanilino)butanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(C)C2=CN(N=C2)C

DOS

IR

Vibrations