Geometry & MOs

Info

ID:	328598
PubChem CID:	126725889
Reduced:	NH17C22 (1)
Stoich.:	AB17C22 (1)
Weight, g/mol:	319.1361
ΔH_f, kcal/mol:	89.19
Dipole, Da:	2.64
IP(EA), eV:	-8.8(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[(E)-2-pyren-1-ylethenyl]pyridine

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)/C=C/C2=CC3=C(C=C2)C4=CC=CC=C4C=C3

DOS

IR

Vibrations