Geometry & MOs

Info

ID:	68673
PubChem CID:	46508877
Reduced:	O4N5C22H33 (1)
Stoich.:	A4B5C22D33 (1)
Weight, g/mol:	459.215806
ΔH_f, kcal/mol:	-157.47
Dipole, Da:	5.34
IP(EA), eV:	-8.72(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)CC(=O)N(C)C(C)C2=CC=CC=C2)N

DOS

IR

Vibrations