Geometry & MOs

Info

ID:	179378
PubChem CID:	76473937
Reduced:	N3O5C16H29 (1)
Stoich.:	A3B5C16D29 (1)
Weight, g/mol:	621.307695
ΔH_f, kcal/mol:	-202.26
Dipole, Da:	1.05
IP(EA), eV:	-10.07(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-amino-5-[1-[2-[2,4-bis(phenylmethoxy)phenyl]acetyl]-4-phenylpiperazin-1-ium-1-yl]-5-oxopentanamide

Drug info:

PubChemData

Smile

CC(C)CCC(C(=O)N(C(=O)N(CC(C)(C)C=C)C(=O)NC)O)O

DOS

IR

Vibrations