Geometry & MOs

Info

ID:	405247
PubChem CID:	135073186
Reduced:	NC11H15 (2)
Stoich.:	AB11C15 (2)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	45.55
Dipole, Da:	3.03
IP(EA), eV:	-7.98(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethoxymethyl)-1-(3-phenylprop-2-ynyl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C)C[C@@H](CN(CC=C)CC1=CC=CC=C1)NC2=CC=CC=C2

DOS

IR

Vibrations