Geometry & MOs

Info

ID:	55339
PubChem CID:	17390903
Reduced:	NSO2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	261.100108
ΔH_f, kcal/mol:	-3.71
Dipole, Da:	5.75
IP(EA), eV:	-9.49(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-2-(2-methylcyclopropyl)-3,1-benzoxazin-4-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N=C(O2)C3=CC=CS3

DOS

IR

Vibrations