Geometry & MOs

Info

ID:	331825
PubChem CID:	127250111
Reduced:	ClO2N4H23C25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	10.71
Dipole, Da:	3.66
IP(EA), eV:	-9.09(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethylpyrazol-4-yl)-2-[2-[6-[(2-methylphenyl)methyl]pyridin-2-yl]morpholin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)C(=O)N3CCOC(C3)C4=CC=CC(=N4)CC5=CC=CC=C5Cl

DOS

IR

Vibrations