Geometry & MOs

Info

ID:	34628
PubChem CID:	7978751
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	405.109149
ΔH_f, kcal/mol:	-102.68
Dipole, Da:	1.96
IP(EA), eV:	-9.28(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NNC(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations