Geometry & MOs

Info

ID:	72399
PubChem CID:	48416131
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	412.163436
ΔH_f, kcal/mol:	-88.35
Dipole, Da:	2.8
IP(EA), eV:	-8.94(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC=C(C=C2)N3C=CC=N3)C(=O)OC

DOS

IR

Vibrations