Geometry & MOs

Info

ID:	212225
PubChem CID:	81059886
Reduced:	N3C16H25 (1)
Stoich.:	A3B16C25 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	6.07
Dipole, Da:	5.49
IP(EA), eV:	-8.66(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyclopropylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations