Geometry & MOs

Info

ID:	446806
PubChem CID:	135277839
Reduced:	FN9H22C23 (1)
Stoich.:	AB9C22D23 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	129.87
Dipole, Da:	6.67
IP(EA), eV:	-9.39(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyano-3-methyl-3-(6-methylpyridin-2-yl)pentanoate

Drug info:

PubChemData

Smile

CC(C)(CN)C1=CC=CC(=N1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4F)C#N)N

DOS

IR

Vibrations