Geometry & MOs

Info

ID:	185644
PubChem CID:	77324513
Reduced:	O3N4C25H32 (1)
Stoich.:	A3B4C25D32 (1)
Weight, g/mol:	325.99022
ΔH_f, kcal/mol:	-76.92
Dipole, Da:	7.86
IP(EA), eV:	-9.09(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-bromo-5-methyl-4-oxo-1,3-benzoxazin-2-yl)amino]propanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N(CC1=CC=CC=C1)C(=O)C2CCCN2CC(=O)C3=CC=CC=N3)N

DOS

IR

Vibrations