Geometry & MOs

Info

ID:	144258
PubChem CID:	53338913
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	-174.99
Dipole, Da:	3.26
IP(EA), eV:	-9.41(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]hex-5-ynenitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCO[C@H](C1)[C@@H](C2=CC=CC=C2)O

DOS

IR

Vibrations