Geometry & MOs

Info

ID:	332968
PubChem CID:	127251392
Reduced:	ClO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	424.166604
ΔH_f, kcal/mol:	-10.64
Dipole, Da:	2.2
IP(EA), eV:	-9.34(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-[2-[6-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CCC3=CC(=CC=C3)Cl)C4=CN=CN=C4

DOS

IR

Vibrations