Geometry & MOs

Info

ID:	367518
PubChem CID:	127324869
Reduced:	O3N6C20H24 (1)
Stoich.:	A3B6C20D24 (1)
Weight, g/mol:	383.159354
ΔH_f, kcal/mol:	-62.47
Dipole, Da:	5.28
IP(EA), eV:	-8.74(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2C(CCC(=O)N2C)C(=O)NC3=CC(=CC=C3)N4CCNC4=O

DOS

IR

Vibrations