Geometry & MOs

Info

ID:	152387
PubChem CID:	56311302
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	431.242021
ΔH_f, kcal/mol:	-56.85
Dipole, Da:	11.25
IP(EA), eV:	-8.85(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations