Geometry & MOs

Info

ID:	249860
PubChem CID:	103092547
Reduced:	BrN2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	195.108171
ΔH_f, kcal/mol:	54.95
Dipole, Da:	1.38
IP(EA), eV:	-8.93(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-ethyl-4-(5-methylthiophen-2-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C=C/C1=C2C(=C(C=C1)Br)C=CC=N2

DOS

IR

Vibrations