Geometry & MOs

Info

ID:	153190
PubChem CID:	56312342
Reduced:	N2O2C13H17 (2)
Stoich.:	A2B2C13D17 (2)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-135.3
Dipole, Da:	5.79
IP(EA), eV:	-8.44(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CN2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations