Geometry & MOs

Info

ID:	212508
PubChem CID:	81060764
Reduced:	BrN3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	53.04
Dipole, Da:	5.23
IP(EA), eV:	-9.26(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC2=C(C(=NC(=C2)C)C)C#N)C)Br

DOS

IR

Vibrations