Geometry & MOs

Info

ID:	424547
PubChem CID:	135123087
Reduced:	SN4O5C27H34 (1)
Stoich.:	AB4C5D27E34 (1)
Weight, g/mol:	192.102941
ΔH_f, kcal/mol:	-180.46
Dipole, Da:	7.26
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-1-methyl-1,4-diazepan-2-one;hydrochloride

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1S(=O)(=O)NC2=CC(=C3C(=C2)C4(CCCC4)C(=O)N3)C(=O)NC5CCN(CC5)C

DOS

IR

Vibrations