Geometry & MOs

Info

ID:	151848
PubChem CID:	56310665
Reduced:	N2O2C13H17 (2)
Stoich.:	A2B2C13D17 (2)
Weight, g/mol:	447.182792
ΔH_f, kcal/mol:	-123.94
Dipole, Da:	3.42
IP(EA), eV:	-8.7(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=C(C=C2)CN3CCOCC3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations