Geometry & MOs

Info

ID:	250014
PubChem CID:	103093524
Reduced:	ClNO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	239.148556
ΔH_f, kcal/mol:	-78.04
Dipole, Da:	3.78
IP(EA), eV:	-8.62(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2,4-difluorophenyl)-3-methyl-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=CC(=C(C(=C1)Cl)OC)OCC)/C

DOS

IR

Vibrations