Geometry & MOs

Info

ID:	152815
PubChem CID:	56311889
Reduced:	O2N6C23H30 (1)
Stoich.:	A2B6C23D30 (1)
Weight, g/mol:	437.231456
ΔH_f, kcal/mol:	-22.17
Dipole, Da:	6.5
IP(EA), eV:	-8.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanoylamino]methyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations