Geometry & MOs

Info

ID:	249995
PubChem CID:	103093383
Reduced:	NOBr2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	277.095892
ΔH_f, kcal/mol:	-15.16
Dipole, Da:	4.48
IP(EA), eV:	-8.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-ethyl-3-methyl-4-(4-thiophen-2-ylthiophen-2-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=C(C(=CC(=C1)Br)Br)OC)/C

DOS

IR

Vibrations