Geometry & MOs

Info

ID:	357426
PubChem CID:	127294059
Reduced:	N2O5C19H24 (1)
Stoich.:	A2B5C19D24 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-191.95
Dipole, Da:	3.0
IP(EA), eV:	-8.45(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CN(C(CO1)C)C(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations