Geometry & MOs

Info

ID:	278984
PubChem CID:	103840281
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-114.59
Dipole, Da:	4.79
IP(EA), eV:	-9.21(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1CCCN1C(=O)C2CC2(C)C)O

DOS

IR

Vibrations