Geometry & MOs

Info

ID:	249985
PubChem CID:	103093306
Reduced:	OSN3C15H25 (1)
Stoich.:	ABC3D15E25 (1)
Weight, g/mol:	225.132906
ΔH_f, kcal/mol:	-24.83
Dipole, Da:	0.61
IP(EA), eV:	-8.55(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2,3-difluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)C(=CC1=C(N=C(S1)N2CCOCC2)C)C

DOS

IR

Vibrations