Geometry & MOs

Info

ID:	152603
PubChem CID:	56311574
Reduced:	N3O6C25H33 (1)
Stoich.:	A3B6C25D33 (1)
Weight, g/mol:	490.22162
ΔH_f, kcal/mol:	-201.06
Dipole, Da:	5.0
IP(EA), eV:	-8.59(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCC2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations