Geometry & MOs

Info

ID:	331119
PubChem CID:	127248526
Reduced:	ClN3O3C24H28 (1)
Stoich.:	AB3C3D24E28 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-39.65
Dipole, Da:	1.26
IP(EA), eV:	-8.77(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dimethylpropyl)-2-[5-[2-(3-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3=CC=CC=C3OC)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations