Geometry & MOs

Info

ID:	153666
PubChem CID:	56312954
Reduced:	F3N3O4C22H30 (1)
Stoich.:	A3B3C4D22E30 (1)
Weight, g/mol:	438.224261
ΔH_f, kcal/mol:	-292.43
Dipole, Da:	2.95
IP(EA), eV:	-9.1(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations