Geometry & MOs

Info

ID:	313415
PubChem CID:	126614581
Reduced:	N2H26C31 (1)
Stoich.:	A2B26C31 (1)
Weight, g/mol:	399.219829
ΔH_f, kcal/mol:	137.14
Dipole, Da:	0.64
IP(EA), eV:	-7.57(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(E)-(4,6-dimethyl-4H-1,3-dioxin-2-ylidene)methyl]phenyl]-4-(3,5-dimethylphenyl)-1-methyl-2H-pyridine

Drug info:

PubChemData

Smile

CC1=CCN2C(=C1)C3=C(C=CC(=C3)C4=CC=CC=C4)C=C2N5C=CC=CC5C6=CC=CC=C6

DOS

IR

Vibrations