Geometry & MOs

Info

ID:	76044
PubChem CID:	48424350
Reduced:	BrFN2O3C18H18 (1)
Stoich.:	ABC2D3E18F18 (1)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	-160.94
Dipole, Da:	3.56
IP(EA), eV:	-9.32(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations