Geometry & MOs

Info

ID:	152881
PubChem CID:	56311962
Reduced:	F3N4O4C24H27 (1)
Stoich.:	A3B4C4D24E27 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-260.1
Dipole, Da:	3.39
IP(EA), eV:	-8.61(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NCC(=O)NC2=C(C(=C(C=C2)F)F)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations