Geometry & MOs

Info

ID:	249825
PubChem CID:	103092301
Reduced:	ClNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	211.117256
ΔH_f, kcal/mol:	-29.81
Dipole, Da:	2.2
IP(EA), eV:	-8.86(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(C)/C=C/C1=CC(=C(C=C1)O)Cl

DOS

IR

Vibrations