Geometry & MOs

Info

ID:	151746
PubChem CID:	56310430
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-122.94
Dipole, Da:	3.8
IP(EA), eV:	-8.57(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCCOC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations