Geometry & MOs

Info

ID:	154112
PubChem CID:	56313501
Reduced:	O2F3N4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	483.153654
ΔH_f, kcal/mol:	-159.99
Dipole, Da:	1.73
IP(EA), eV:	-9.27(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[1-[[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)C2=CC=CC3=C2NN=C3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations