Geometry & MOs

Info

ID:	441213
PubChem CID:	135233641
Reduced:	NOH15C26 (2)
Stoich.:	ABC15D26 (2)
Weight, g/mol:	197.120449
ΔH_f, kcal/mol:	183.21
Dipole, Da:	4.57
IP(EA), eV:	-8.57(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-ethenylphenyl)-4-methyl-1,2-dihydropyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=C4C(=CC=C3)OC5=C4C=C(C=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations