Geometry & MOs

Info

ID:	346435
PubChem CID:	127270939
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	43.92
Dipole, Da:	6.38
IP(EA), eV:	-8.31(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1H-indazole-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)NC3=NC=C(C=C3)N4CCCCC4)NN=C2

DOS

IR

Vibrations