Geometry & MOs

Info

ID:	271856
PubChem CID:	103694350
Reduced:	BrN2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	290.96617
ΔH_f, kcal/mol:	19.29
Dipole, Da:	2.06
IP(EA), eV:	-9.4(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-amino-3-(5-bromo-2-chlorophenyl)propanoate

Drug info:

PubChemData

Smile

CCC[C@@H](C1=C(C=CC=N1)Br)N

DOS

IR

Vibrations