Geometry & MOs

Info

ID:	56502
PubChem CID:	17435985
Reduced:	OS2N5C14H15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	41.85
Dipole, Da:	3.74
IP(EA), eV:	-9.29(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=CS1)SC2=NC=C(C(=N2)N)C#N

DOS

IR

Vibrations