Geometry & MOs

Info

ID:	410970
PubChem CID:	135083774
Reduced:	NC13H19 (1)
Stoich.:	AB13C19 (1)
Weight, g/mol:	330.08445
ΔH_f, kcal/mol:	14.88
Dipole, Da:	1.67
IP(EA), eV:	-8.02(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-5-but-3-ynyl-3-(3-iodo-2,2-dimethylpropyl)-1-methylcyclopentene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NCCCCC=C

DOS

IR

Vibrations