Geometry & MOs

Info

ID:	151765
PubChem CID:	56310539
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	466.258006
ΔH_f, kcal/mol:	-17.1
Dipole, Da:	3.4
IP(EA), eV:	-8.57(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NC(=NO2)C3=CC=CC(=C3)C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations