Geometry & MOs

Info

ID:	151790
PubChem CID:	56310592
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	413.24269
ΔH_f, kcal/mol:	5.53
Dipole, Da:	8.44
IP(EA), eV:	-9.09(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(CC2CC2)C(C)C3=CC=CC=C3

DOS

IR

Vibrations