Geometry & MOs

Info

ID:	448620
PubChem CID:	135292303
Reduced:	ON5H27C28 (1)
Stoich.:	AB5C27D28 (1)
Weight, g/mol:	288.195011
ΔH_f, kcal/mol:	120.81
Dipole, Da:	6.49
IP(EA), eV:	-8.98(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-(dimethylamino)methylidene]but-3-enenitrile

Drug info:

PubChemData

Smile

C=CC1=NC2=CC=CC=C2C(=C1)C3=C(N=C(C(=C3)C#N)N4CCN(CC4)C(=O)C5CC5)C6CC6

DOS

IR

Vibrations