Geometry & MOs

Info

ID:	324806
PubChem CID:	126678379
Reduced:	ON2H22C30 (1)
Stoich.:	AB2C22D30 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	95.98
Dipole, Da:	1.61
IP(EA), eV:	-7.82(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(1,5-dihydropyrazol-2-yl)phenyl]methyl]-N-hydroxy-3,3-dimethyl-2H-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

C1CC(=CC=C1)N2C3=C(C4=C2C=C5C(=C4)C6=CC=CC=C6N5)C7=C(C=C3)C8=C(O7)CCC=C8

DOS

IR

Vibrations