Geometry & MOs

Info

ID:	349288
PubChem CID:	127275075
Reduced:	ON3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	309.114713
ΔH_f, kcal/mol:	-29.4
Dipole, Da:	4.37
IP(EA), eV:	-8.46(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methyl-1,4-oxazepan-4-yl)methyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC2=C(N(N=C2C)C)C

DOS

IR

Vibrations