Geometry & MOs

Info

ID:	152670
PubChem CID:	56311699
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-132.84
Dipole, Da:	4.53
IP(EA), eV:	-8.33(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations