Geometry & MOs

Info

ID:	152668
PubChem CID:	56311697
Reduced:	O3N6C24H26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-16.63
Dipole, Da:	7.88
IP(EA), eV:	-8.49(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NN=C3N2C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)C(=O)OC

DOS

IR

Vibrations