Geometry & MOs

Info

ID:	331791
PubChem CID:	127250075
Reduced:	FON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	396.171689
ΔH_f, kcal/mol:	-2.47
Dipole, Da:	2.97
IP(EA), eV:	-8.74(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(2-chlorophenyl)methyl]pyridin-2-yl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4F

DOS

IR

Vibrations