Geometry & MOs

Info

ID:	332551
PubChem CID:	127250837
Reduced:	ClO3N6C21H25 (1)
Stoich.:	AB3C6D21E25 (1)
Weight, g/mol:	444.167666
ΔH_f, kcal/mol:	-32.52
Dipole, Da:	2.39
IP(EA), eV:	-9.12(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations