Geometry & MOs

Info

ID:	198192
PubChem CID:	79064311
Reduced:	ClNC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	193.146664
ΔH_f, kcal/mol:	-12.29
Dipole, Da:	4.03
IP(EA), eV:	-8.89(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-4-piperidin-1-ylhex-1-yn-3-one

Drug info:

PubChemData

Smile

CCC(C)(C(CC1=CC(=C(C=C1)Cl)Cl)N)N(C)C

DOS

IR

Vibrations