Geometry & MOs

Info

ID:	200444
PubChem CID:	79389795
Reduced:	NCl2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-97.08
Dipole, Da:	1.71
IP(EA), eV:	-8.75(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-methylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCN(CC(=O)C1=C(C=C(C=C1)Cl)Cl)CC(C)(C)O

DOS

IR

Vibrations