Geometry & MOs

Info

ID:	382204
PubChem CID:	134973197
Reduced:	NO2H17C19 (2)
Stoich.:	AB2C17D19 (2)
Weight, g/mol:	337.168281
ΔH_f, kcal/mol:	-80.03
Dipole, Da:	0.38
IP(EA), eV:	-8.31(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3S,4R,11S)-1,5-dibutyl-3-chloro-5-aza-1-azoniatetracyclo[6.4.0.02,7.04,11]dodec-9-ene-6,12-dione

Drug info:

PubChemData

Smile

CC1(C2COC3=CC=CC=C3C2NC4=C1C=CC5=C4C(=O)C6=C(C5=O)C7=C(C=C6)C(C8COC9=CC=CC=C9C8N7)(C)C)C

DOS

IR

Vibrations