Geometry & MOs

Info

ID:	333084
PubChem CID:	127251508
Reduced:	O2N4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	424.202989
ΔH_f, kcal/mol:	-10.66
Dipole, Da:	0.89
IP(EA), eV:	-8.67(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-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=C4)OC)C

DOS

IR

Vibrations