Geometry & MOs

Info

ID:	142318
PubChem CID:	53016453
Reduced:	SN3O3C9H19 (1)
Stoich.:	AB3C3D9E19 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-138.11
Dipole, Da:	3.96
IP(EA), eV:	-9.3(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-3-yl)methanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCCN(CC1)C(=O)NC

DOS

IR

Vibrations