Geometry & MOs

Info

ID:	76213
PubChem CID:	48424603
Reduced:	BrFNO2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	307.178358
ΔH_f, kcal/mol:	-104.2
Dipole, Da:	3.52
IP(EA), eV:	-9.5(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=C(C=C(C=C1)F)Br)OCC2CC2

DOS

IR

Vibrations