Geometry & MOs

Info

ID:	126420
PubChem CID:	50964331
Reduced:	SN8C16H16 (1)
Stoich.:	AB8C16D16 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	175.76
Dipole, Da:	10.5
IP(EA), eV:	-9.27(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[furan-2-ylmethyl-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)CCSC2=NN=NN2C)C3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations