Geometry & MOs

Info

ID:	265561
PubChem CID:	103530071
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-99.54
Dipole, Da:	3.4
IP(EA), eV:	-8.26(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-1H-indazol-3-yl)-(3,4-dimethoxypyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1CCN(C1)C(=O)C2=C(C=CC(=C2)N)OC

DOS

IR

Vibrations