Geometry & MOs

Info

ID:	249824
PubChem CID:	103092300
Reduced:	NF3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	225.092042
ΔH_f, kcal/mol:	-112.05
Dipole, Da:	4.42
IP(EA), eV:	-9.17(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(E)-3-(ethylamino)but-1-enyl]phenol

Drug info:

PubChemData

Smile

CCNC(C)/C=C/C1=CC(=C(C(=C1)F)F)F

DOS

IR

Vibrations