Geometry & MOs

Info

ID:	333076
PubChem CID:	127251500
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	396.171689
ΔH_f, kcal/mol:	2.94
Dipole, Da:	4.52
IP(EA), eV:	-8.45(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC3=CN(N=C3)C)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations