Geometry & MOs

Info

ID:	310590
PubChem CID:	126582979
Reduced:	ClFON3C16H19 (1)
Stoich.:	ABCD3E16F19 (1)
Weight, g/mol:	399.14091
ΔH_f, kcal/mol:	-10.26
Dipole, Da:	3.47
IP(EA), eV:	-8.92(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E,2E)-5-bromo-2-[2-(3-hydroxypropoxy)prop-2-enylidene]-7-methyloct-4-enyl]-N-cyclopropylformamide

Drug info:

PubChemData

Smile

C1CN2CCC1[C@@H](C23CC3)N=C(C4=C(C=C(C=C4)Cl)F)NO

DOS

IR

Vibrations