Geometry & MOs

Info

ID:	362961
PubChem CID:	127309967
Reduced:	N4O4C19H32 (1)
Stoich.:	A4B4C19D32 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-178.93
Dipole, Da:	2.64
IP(EA), eV:	-8.95(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(3-methylpyrrolidin-1-yl)ethane-1,2-dione

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCC(CC2)CNC(=O)NCC3(CCOCC3)O)C

DOS

IR

Vibrations