Geometry & MOs

Info

ID:	151986
PubChem CID:	56310821
Reduced:	ClO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-32.44
Dipole, Da:	4.25
IP(EA), eV:	-8.6(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NN=C(O2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations