Geometry & MOs

Info

ID:	333085
PubChem CID:	127251509
Reduced:	ClON4C24H29 (1)
Stoich.:	ABC4D24E29 (1)
Weight, g/mol:	424.202989
ΔH_f, kcal/mol:	15.62
Dipole, Da:	2.67
IP(EA), eV:	-8.56(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3-chlorophenyl)methyl]-6-methylpyridin-2-yl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=NC(=CC(=C3)CC4=CC=CC=C4Cl)C

DOS

IR

Vibrations