Geometry & MOs

Info

ID:	151982
PubChem CID:	56310817
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	403.247107
ΔH_f, kcal/mol:	-85.72
Dipole, Da:	5.78
IP(EA), eV:	-8.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations