Geometry & MOs

Info

ID:	335004
PubChem CID:	127253810
Reduced:	N2O6H16C17 (1)
Stoich.:	A2B6C16D17 (1)
Weight, g/mol:	475.221954
ΔH_f, kcal/mol:	-172.0
Dipole, Da:	5.95
IP(EA), eV:	-9.01(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)O)OCO3)CNC(=O)C4=CC=CO4

DOS

IR

Vibrations