Geometry & MOs

Info

ID:	157606
PubChem CID:	56436009
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	462.12665
ΔH_f, kcal/mol:	-180.08
Dipole, Da:	2.57
IP(EA), eV:	-9.41(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2,5-ditert-butylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(C1=CC=CC=C1)C(=O)N2CCC(CC2)C3OCCO3

DOS

IR

Vibrations