Geometry & MOs

Info

ID:	377512
PubChem CID:	134223569
Reduced:	N3C26H53 (1)
Stoich.:	A3B26C53 (1)
Weight, g/mol:	248.194029
ΔH_f, kcal/mol:	-75.91
Dipole, Da:	5.18
IP(EA), eV:	-8.82(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethynyl-1-(3-fluorocyclopentyl)-3-[(Z)-pent-2-enyl]cyclopentane

Drug info:

PubChemData

Smile

CCC(CCC(C)CCN)NCCCC1CC(C(C1)C(CCC(C)C=C)CN)C

DOS

IR

Vibrations