Geometry & MOs

Info

ID:	249702
PubChem CID:	103091440
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	181.092521
ΔH_f, kcal/mol:	-48.98
Dipole, Da:	3.55
IP(EA), eV:	-8.72(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2,5-dimethylthiophen-3-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC2=C(C=C1)OCCCO2)N

DOS

IR

Vibrations