Geometry & MOs

Info

ID:	331937
PubChem CID:	127250223
Reduced:	O2N4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	444.213696
ΔH_f, kcal/mol:	-9.2
Dipole, Da:	2.85
IP(EA), eV:	-8.56(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=NC=C(C=C3)CC4=CC=CC=C4OCC

DOS

IR

Vibrations