Geometry & MOs

Info

ID:	143840
PubChem CID:	53267598
Reduced:	BrFNO2C17H17 (1)
Stoich.:	ABCD2E17F17 (1)
Weight, g/mol:	433.12526
ΔH_f, kcal/mol:	-93.62
Dipole, Da:	4.14
IP(EA), eV:	-9.07(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-tert-butylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OC(C)C(=O)NC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations