Geometry & MOs

Info

ID:	76208
PubChem CID:	48424595
Reduced:	BrFN2O3C18H18 (1)
Stoich.:	ABC2D3E18F18 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-144.07
Dipole, Da:	2.59
IP(EA), eV:	-9.42(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[2-(4-nitrophenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations