Geometry & MOs

Info

ID:	152750
PubChem CID:	56311811
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-61.5
Dipole, Da:	3.61
IP(EA), eV:	-8.43(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2CCC(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations