Geometry & MOs

Info

ID:	249961
PubChem CID:	103093146
Reduced:	OSN2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	271.03719
ΔH_f, kcal/mol:	37.93
Dipole, Da:	4.71
IP(EA), eV:	-8.47(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-bromo-4-fluorophenyl)-N,3-dimethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC=C(O1)C2=NC3=CC=CC=C3S2)/C)NC

DOS

IR

Vibrations