Geometry & MOs

Info

ID:	154854
PubChem CID:	56314396
Reduced:	F3O3N4C24H27 (1)
Stoich.:	A3B3C4D24E27 (1)
Weight, g/mol:	415.208276
ΔH_f, kcal/mol:	-239.55
Dipole, Da:	7.17
IP(EA), eV:	-8.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-[[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3)N4CCNC4=O

DOS

IR

Vibrations