Geometry & MOs

Info

ID:	250008
PubChem CID:	103093481
Reduced:	NOC18H29 (1)
Stoich.:	ABC18D29 (1)
Weight, g/mol:	225.132906
ΔH_f, kcal/mol:	-48.58
Dipole, Da:	1.9
IP(EA), eV:	-8.52(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2,6-difluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C=C(/C)\C(C)NCC

DOS

IR

Vibrations