Geometry & MOs

Info

ID:	152585
PubChem CID:	56311555
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-52.51
Dipole, Da:	3.65
IP(EA), eV:	-8.7(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations