Geometry & MOs

Info

ID:	130530
PubChem CID:	51091103
Reduced:	SN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-29.46
Dipole, Da:	3.66
IP(EA), eV:	-9.38(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3,3-dimethylmorpholin-4-yl)-3-oxopropyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1(COCCN1C(=O)C2=CSC(=N2)C3=CC=CC=C3)C

DOS

IR

Vibrations