Geometry & MOs

Info

ID:	331758
PubChem CID:	127250042
Reduced:	ClON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	444.213696
ΔH_f, kcal/mol:	24.88
Dipole, Da:	3.48
IP(EA), eV:	-8.68(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=CC=CC(=N3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations