Geometry & MOs

Info

ID:	333045
PubChem CID:	127251469
Reduced:	ClON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	444.213696
ΔH_f, kcal/mol:	24.99
Dipole, Da:	2.31
IP(EA), eV:	-8.8(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC3=CN(N=C3C)C)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations