Geometry & MOs

Info

ID:	353608
PubChem CID:	127285185
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	-102.82
Dipole, Da:	6.32
IP(EA), eV:	-9.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)CCC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations