Geometry & MOs

Info

ID:	440182
PubChem CID:	135230092
Reduced:	OSN3C43H83 (1)
Stoich.:	ABC3D43E83 (1)
Weight, g/mol:	264.114174
ΔH_f, kcal/mol:	-168.38
Dipole, Da:	5.45
IP(EA), eV:	-8.73(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13S)-13-butan-2-yl-4-chloro-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC1N(CCN1CCNC(=O)CCCCCCC/C=C\CCCCCCCC)CCCS

DOS

IR

Vibrations