Geometry & MOs

Info

ID:	438936
PubChem CID:	135228697
Reduced:	N2O3C25H26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	411.2926
ΔH_f, kcal/mol:	-70.56
Dipole, Da:	6.7
IP(EA), eV:	-9.02(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-ethyl-4-(4-ethylphenyl)-2-(3-methylbutyl)phenyl]-4-methylidene-5-prop-1-en-2-yl-1H-pyridine

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)C)C(C)C)OC

DOS

IR

Vibrations