Geometry & MOs

Info

ID:	174602
PubChem CID:	75791798
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	385.249118
ΔH_f, kcal/mol:	-105.72
Dipole, Da:	1.69
IP(EA), eV:	-9.2(0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2,7-dioxo-3-piperidin-2-ylidenechromen-8-yl)methyl-bis(2-methylpropyl)azanium

Drug info:

PubChemData

Smile

CCC(C(=O)OC)N(C)CC1=CC=CO1

DOS

IR

Vibrations