Geometry & MOs

Info

ID:	249734
PubChem CID:	103091688
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	197.101606
ΔH_f, kcal/mol:	-64.07
Dipole, Da:	2.91
IP(EA), eV:	-8.73(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(/C(=C\C1=C(C(=C(C=C1)OC)OC)Cl)/C)N

DOS

IR

Vibrations