Geometry & MOs

Info

ID:	75002
PubChem CID:	48422844
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	317.123878
ΔH_f, kcal/mol:	-138.6
Dipole, Da:	1.72
IP(EA), eV:	-9.38(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCC(CC2)OCC3=CC=CC=C3

DOS

IR

Vibrations