Geometry & MOs

Info

ID:	285880
PubChem CID:	104134720
Reduced:	ClN2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	268.097855
ΔH_f, kcal/mol:	-110.73
Dipole, Da:	3.14
IP(EA), eV:	-9.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-ethylpyridin-4-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CC(CO)NC(=O)C1=CC(=NC(=C1)Cl)C(C)(C)C

DOS

IR

Vibrations