Geometry & MOs

Info

ID:	212616
PubChem CID:	81061206
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	203.142248
ΔH_f, kcal/mol:	-43.18
Dipole, Da:	6.16
IP(EA), eV:	-9.3(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[methyl(propyl)amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations