Geometry & MOs

Info

ID:	448590
PubChem CID:	135292116
Reduced:	ON2C14H16 (2)
Stoich.:	AB2C14D16 (2)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	21.92
Dipole, Da:	2.98
IP(EA), eV:	-8.65(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-amino-4-methanimidoylphenyl)-6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COCCC(=O)N1CCN(CC1C2CC2)C3=NC(=C(C=C3)C4=CC=CC5=C4C=CN=C5)C6CC6

DOS

IR

Vibrations