Geometry & MOs

Info

ID:	153277
PubChem CID:	56312449
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	393.101082
ΔH_f, kcal/mol:	-92.53
Dipole, Da:	4.37
IP(EA), eV:	-8.74(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)NCCOC3=CC=CC=C3

DOS

IR

Vibrations