Geometry & MOs

Info

ID:	331756
PubChem CID:	127250040
Reduced:	FON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	410.187339
ΔH_f, kcal/mol:	-11.3
Dipole, Da:	2.02
IP(EA), eV:	-8.61(-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-ethyl-3-methylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations