Geometry & MOs

Info

ID:	354098
PubChem CID:	127286029
Reduced:	SO3N4C17H32 (1)
Stoich.:	AB3C4D17E32 (1)
Weight, g/mol:	300.206245
ΔH_f, kcal/mol:	-129.89
Dipole, Da:	7.6
IP(EA), eV:	-8.92(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[2-(1-phenyltetrazol-5-yl)ethyl]-1,4-diazepane

Drug info:

PubChemData

Smile

CCN1CCCN(CC1)CC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations