Geometry & MOs

Info

ID:	253711
PubChem CID:	103120133
Reduced:	O3N4C12H16 (1)
Stoich.:	A3B4C12D16 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-50.33
Dipole, Da:	5.24
IP(EA), eV:	-9.45(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN(CC(COC)O)C(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations