Geometry & MOs

Info

ID:	331775
PubChem CID:	127250059
Reduced:	FO2N4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	396.135304
ΔH_f, kcal/mol:	-34.81
Dipole, Da:	3.05
IP(EA), eV:	-9.26(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(2-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4F

DOS

IR

Vibrations