Geometry & MOs

Info

ID:	331933
PubChem CID:	127250219
Reduced:	ClON4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	390.241962
ΔH_f, kcal/mol:	41.92
Dipole, Da:	4.83
IP(EA), eV:	-9.04(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-[5-[(4-methylphenyl)methyl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCOC(C2)C3=NC=C(C=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations