Geometry & MOs

Info

ID:	333047
PubChem CID:	127251471
Reduced:	ClO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	424.166604
ΔH_f, kcal/mol:	-18.98
Dipole, Da:	3.17
IP(EA), eV:	-9.3(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(3-chlorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-(1,5-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=CN(N=C3C)C)CC4=CC=CC=C4Cl

DOS

IR

Vibrations