Geometry & MOs

Info

ID:	331755
PubChem CID:	127250039
Reduced:	ON4C24H30 (1)
Stoich.:	AB4C24D30 (1)
Weight, g/mol:	394.21689
ΔH_f, kcal/mol:	27.57
Dipole, Da:	2.56
IP(EA), eV:	-8.59(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-[6-[(2-fluorophenyl)methyl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4C

DOS

IR

Vibrations