Geometry & MOs

Info

ID:	332589
PubChem CID:	127250875
Reduced:	ClO2N5C23H30 (1)
Stoich.:	AB2C5D23E30 (1)
Weight, g/mol:	443.208803
ΔH_f, kcal/mol:	-10.41
Dipole, Da:	3.87
IP(EA), eV:	-8.65(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=NN1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations