Geometry & MOs

Info

ID:	250043
PubChem CID:	103093770
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	287.03433
ΔH_f, kcal/mol:	-31.8
Dipole, Da:	0.95
IP(EA), eV:	-8.86(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-bromothiophen-2-yl)-3-methyl-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=CC=C(C=C1)COC)/C

DOS

IR

Vibrations