Geometry & MOs

Info

ID:	448595
PubChem CID:	135292140
Reduced:	ON5C32H35 (1)
Stoich.:	AB5C32D35 (1)
Weight, g/mol:	480.267131
ΔH_f, kcal/mol:	132.16
Dipole, Da:	3.94
IP(EA), eV:	-8.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-6-cyclopropyl-5-(4-ethylsulfanylpiperazin-1-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC1CC1C(=C)N2CCN(CC2C3CC3)C4=NC(=C(C=C4C#N)C5=CC=CC6=C5C=CN=C6)C7CC7

DOS

IR

Vibrations