Geometry & MOs

Info

ID:	187139
PubChem CID:	77534561
Reduced:	NO2C21H29 (1)
Stoich.:	AB2C21D29 (1)
Weight, g/mol:	537.262757
ΔH_f, kcal/mol:	-74.81
Dipole, Da:	3.77
IP(EA), eV:	-7.63(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-butoxy-5-tert-butyl-3-[2-(5-nitropyridin-2-yl)ethenyl]phenyl]-2-phenylmethoxypyridine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(=O)OC(C)(C)CC(C)(C)N2CC=CC=C2

DOS

IR

Vibrations