Geometry & MOs

Info

ID:	16494
PubChem CID:	471076
Reduced:	N3O5H17C19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	367.116821
ΔH_f, kcal/mol:	-104.89
Dipole, Da:	1.19
IP(EA), eV:	-8.7(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC4=CC5=C(C=C4N3)OCO5

DOS

IR

Vibrations