Geometry & MOs

Info

ID:	260420
PubChem CID:	103190631
Reduced:	BrN2C11H25 (1)
Stoich.:	AB2C11D25 (1)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	-22.81
Dipole, Da:	3.99
IP(EA), eV:	-8.39(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]thiophen-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN(CCCCBr)C(C)CN(C)C

DOS

IR

Vibrations