Geometry & MOs

Info

ID:	151768
PubChem CID:	56310564
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-127.01
Dipole, Da:	7.29
IP(EA), eV:	-8.43(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-(3-cyanoanilino)-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CN2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations