Geometry & MOs

Info

ID:	317763
PubChem CID:	126645699
Reduced:	N3O5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-120.23
Dipole, Da:	4.59
IP(EA), eV:	-8.71(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-oxo-4-[(1-phenylpiperidin-4-yl)methyl]-1,4-benzoxazine-6-carboxylate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)CN3C(=O)COC4=C3C=C(C=C4)C(=O)NO

DOS

IR

Vibrations