Geometry & MOs

Info

ID:	152759
PubChem CID:	56311823
Reduced:	FN4O4C27H33 (1)
Stoich.:	AB4C4D27E33 (1)
Weight, g/mol:	457.221286
ΔH_f, kcal/mol:	-158.8
Dipole, Da:	4.58
IP(EA), eV:	-8.55(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations