Geometry & MOs

Info

ID:	382710
PubChem CID:	134974027
Reduced:	N3O5C28H35 (1)
Stoich.:	A3B5C28D35 (1)
Weight, g/mol:	274.135765
ΔH_f, kcal/mol:	-171.88
Dipole, Da:	4.79
IP(EA), eV:	-8.27(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-2-methyl-3-phenylbenzene

Drug info:

PubChemData

Smile

CC(C)/C=C/[C@H]1C2=C([C@@H]([C@@]3(N1C(=O)[C@@H]4CCCN4C3=O)O)O)C5=C(N2CC=C(C)C)C=C(C=C5)OC

DOS

IR

Vibrations