Geometry & MOs

Info

ID:	163788
PubChem CID:	74374268
Reduced:	BrON4C11H14 (2)
Stoich.:	ABC4D11E14 (2)
Weight, g/mol:	305.101171
ΔH_f, kcal/mol:	-21.96
Dipole, Da:	6.95
IP(EA), eV:	-8.33(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dioxo-1,3-diazinane-4-carbonyl)amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC(C(C)O)NC1=NC(=NC=C1Br)NC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC(C)C(C)O)Br

DOS

IR

Vibrations