Geometry & MOs

Info

ID:	253722
PubChem CID:	103120215
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	209.116427
ΔH_f, kcal/mol:	-13.17
Dipole, Da:	1.87
IP(EA), eV:	-9.13(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1(CN(C1)C(=O)C2=C3C=CC=CN3N=C2)O

DOS

IR

Vibrations