Geometry & MOs

Info

ID:	344354
PubChem CID:	127267530
Reduced:	ClO2N4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-44.72
Dipole, Da:	3.83
IP(EA), eV:	-9.35(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methoxyethoxy)phenyl]-[3-[(1-methylpyrazol-4-yl)methyl]azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)COC(C)C(=O)NCC1=NN=C2N1C=C(C=C2)Cl

DOS

IR

Vibrations