Geometry & MOs

Info

ID:	206048
PubChem CID:	80194090
Reduced:	NSO4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	254.235814
ΔH_f, kcal/mol:	-159.88
Dipole, Da:	5.52
IP(EA), eV:	-9.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-diethyl-1-[(2-methyloxolan-2-yl)methyl]-1,4-diazepane

Drug info:

PubChemData

Smile

CC1(CCCO1)CNS(=O)(=O)C2=CC=CC=C2CO

DOS

IR

Vibrations