Geometry & MOs

Info

ID:	285008
PubChem CID:	104090444
Reduced:	N2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	30.7
Dipole, Da:	3.16
IP(EA), eV:	-8.76(1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-propan-2-ylphenyl)hex-5-yn-1-ol

Drug info:

PubChemData

Smile

C#CCCCN1CC[C@@H](C1)N

DOS

IR

Vibrations