Geometry & MOs

Info

ID:	163338
PubChem CID:	57775150
Reduced:	ON2H16C21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	188.131349
ΔH_f, kcal/mol:	85.46
Dipole, Da:	2.17
IP(EA), eV:	-8.88(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)C#CC3=CN=CC=C3

DOS

IR

Vibrations