Geometry & MOs

Info

ID:	310906
PubChem CID:	126588412
Reduced:	INSO2C20H24 (1)
Stoich.:	ABCD2E20F24 (1)
Weight, g/mol:	401.09904
ΔH_f, kcal/mol:	-44.21
Dipole, Da:	3.26
IP(EA), eV:	-8.62(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-cyclopropylphenyl]propanamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2I)NC(=S)OCC)C

DOS

IR

Vibrations