Geometry & MOs

Info

ID:	153500
PubChem CID:	56312732
Reduced:	O2F3N3C22H28 (1)
Stoich.:	A2B3C3D22E28 (1)
Weight, g/mol:	410.192961
ΔH_f, kcal/mol:	-179.58
Dipole, Da:	4.53
IP(EA), eV:	-8.95(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C#CCN1CCCCC1C(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations