Geometry & MOs

Info

ID:	331958
PubChem CID:	127250244
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	396.171689
ΔH_f, kcal/mol:	5.75
Dipole, Da:	3.44
IP(EA), eV:	-8.64(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(2-chlorophenyl)methyl]pyridin-2-yl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCOC(C2)C3=NC=C(C=C3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations