Geometry & MOs

Info

ID:	395391
PubChem CID:	135025359
Reduced:	O2C21H21 (1)
Stoich.:	A2B21C21 (1)
Weight, g/mol:	306.16198
ΔH_f, kcal/mol:	18.93
Dipole, Da:	3.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.959420
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-[(3R)-6-methyl-1-phenylhept-6-en-1-yn-3-yl]phenol

Drug info:

PubChemData

Smile

CC(=C)[CH+]C[C@H](C#CC1=CC=CC=C1)C2=C(C=CC(=C2)OC)O

DOS

IR

Vibrations