Geometry & MOs

Info

ID:	244979
PubChem CID:	99431924
Reduced:	O4N5C25H25 (1)
Stoich.:	A4B5C25D25 (1)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	-63.08
Dipole, Da:	5.54
IP(EA), eV:	-9.17(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)N3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCC(=O)N5)C

DOS

IR

Vibrations