Geometry & MOs

Info

ID:	212465
PubChem CID:	81060604
Reduced:	N3O4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	279.173548
ΔH_f, kcal/mol:	-124.43
Dipole, Da:	4.07
IP(EA), eV:	-9.72(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(3-phenylbutylamino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(CC(=O)OC)CC(=O)OC

DOS

IR

Vibrations