Geometry & MOs

Info

ID:	369521
PubChem CID:	127334291
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-38.98
Dipole, Da:	5.18
IP(EA), eV:	-9.49(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2C(=O)C3(CCC3)C#N)C)C

DOS

IR

Vibrations