Geometry & MOs

Info

ID:	261391
PubChem CID:	103230319
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	223.02079
ΔH_f, kcal/mol:	-106.3
Dipole, Da:	3.26
IP(EA), eV:	-9.3(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-(propan-2-ylamino)propanoate

Drug info:

PubChemData

Smile

CC(C)NCC1=C(C=CO1)C(=O)O

DOS

IR

Vibrations