Geometry & MOs

Info

ID:	331751
PubChem CID:	127250035
Reduced:	ClN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	382.156039
ΔH_f, kcal/mol:	-89.2
Dipole, Da:	5.14
IP(EA), eV:	-8.78(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(2-chlorophenyl)methyl]pyridin-2-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine

Drug info:

PubChemData

Smile

C1COCCN1CCC(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations