Geometry & MOs

Info

ID:	152177
PubChem CID:	56311047
Reduced:	N2O2C23H30 (1)
Stoich.:	A2B2C23D30 (1)
Weight, g/mol:	480.273656
ΔH_f, kcal/mol:	-51.99
Dipole, Da:	3.36
IP(EA), eV:	-8.6(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[4-(2,6-dimethylmorpholin-4-yl)anilino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)CN2CCC(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations