Geometry & MOs

Info

ID:	151847
PubChem CID:	56310664
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	466.258006
ΔH_f, kcal/mol:	-96.21
Dipole, Da:	6.5
IP(EA), eV:	-8.71(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)N2CCC(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations