Geometry & MOs

Info

ID:	151855
PubChem CID:	56310673
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	13.48
Dipole, Da:	9.93
IP(EA), eV:	-8.29(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=CN3C=CC=CC3=C2C#N)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations