Geometry & MOs

Info

ID:	378622
PubChem CID:	134224715
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	285.151098
ΔH_f, kcal/mol:	-30.06
Dipole, Da:	5.29
IP(EA), eV:	-9.06(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butylsulfonyl-3-ethyl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine

Drug info:

PubChemData

Smile

CCC1=NNC2=C1CN(CCC2)C(=O)CC

DOS

IR

Vibrations