Geometry & MOs

Info

ID:	152990
PubChem CID:	56312096
Reduced:	FN3O3C24H30 (1)
Stoich.:	AB3C3D24E30 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-142.09
Dipole, Da:	5.72
IP(EA), eV:	-8.4(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NCCC2=CC=C(C=C2)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations