Geometry & MOs

Info

ID:	46716
PubChem CID:	10526586
Reduced:	NO8C22H23 (1)
Stoich.:	AB8C22D23 (1)
Weight, g/mol:	429.205242
ΔH_f, kcal/mol:	-277.38
Dipole, Da:	4.61
IP(EA), eV:	-9.84(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-acetyl-1-(benzimidazol-1-ylmethyl)-4-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridin-3-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)CCC3=CC=C(C=C3)C#N)O

DOS

IR

Vibrations