Geometry & MOs

Info

ID:	276175
PubChem CID:	103821081
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-127.39
Dipole, Da:	5.64
IP(EA), eV:	-9.11(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CC1CCO)C(=O)C2=CC3=C(C=C2)NC(=O)CC3

DOS

IR

Vibrations