Geometry & MOs

Info

ID:	388876
PubChem CID:	134990505
Reduced:	O3C6H10 (2)
Stoich.:	A3B6C10 (2)
Weight, g/mol:	333.209264
ΔH_f, kcal/mol:	-287.61
Dipole, Da:	2.66
IP(EA), eV:	-9.93(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)methyl]-3,4-dimethyl-1-(2-phenylethyl)-2H-pyridine

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)C2C(C3C(O2)OC(O3)(C)C)O)C

DOS

IR

Vibrations