Geometry & MOs

Info

ID:	285015
PubChem CID:	104090691
Reduced:	OC13H22 (1)
Stoich.:	AB13C22 (1)
Weight, g/mol:	181.146664
ΔH_f, kcal/mol:	-43.88
Dipole, Da:	1.89
IP(EA), eV:	-10.18(1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pent-4-ynylazepan-4-ol

Drug info:

PubChemData

Smile

CC1(CCCC(C1)(CCCC#C)O)C

DOS

IR

Vibrations