Geometry & MOs

Info

ID:	323177
PubChem CID:	126673237
Reduced:	N2O4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	298.121195
ΔH_f, kcal/mol:	-165.15
Dipole, Da:	6.92
IP(EA), eV:	-9.24(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7Z)-3-(benzenesulfonyl)-N,N-dimethyl-2,4,5,6-tetrahydro-1H-1,2,3,5,7-pentazocin-8-amine

Drug info:

PubChemData

Smile

C=CC1CCCCNC1=O.C=CC(=O)O.C=CN1CCCC1=O

DOS

IR

Vibrations