Geometry & MOs

Info

ID:	54622
PubChem CID:	17389002
Reduced:	Cl2N2O2C19H24 (1)
Stoich.:	A2B2C2D19E24 (1)
Weight, g/mol:	433.152537
ΔH_f, kcal/mol:	-111.2
Dipole, Da:	5.7
IP(EA), eV:	-9.04(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,13R,14S)-3-(2,4-dimethoxybenzoyl)-17,19-dioxa-4-azapentacyclo[14.2.1.02,14.04,13.05,10]nonadeca-5,7,9,11-tetraen-15-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CC=C3)C(=O)O.Cl.Cl

DOS

IR

Vibrations