Geometry & MOs

Info

ID:	272308
PubChem CID:	103738985
Reduced:	ClN3O3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	336.9136
ΔH_f, kcal/mol:	1.55
Dipole, Da:	4.59
IP(EA), eV:	-9.27(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-amino-3-(3,4-dibromophenyl)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations