Geometry & MOs

Info

ID:	370762
PubChem CID:	127340542
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-65.83
Dipole, Da:	3.82
IP(EA), eV:	-8.81(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-4-yl-(4-pyrrolidin-1-ylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCCN(CC2)C(=O)CN3C=CC=NC3=O

DOS

IR

Vibrations