Geometry & MOs

Info

ID:	315962
PubChem CID:	126629493
Reduced:	BrN3C18H24 (1)
Stoich.:	AB3C18D24 (1)
Weight, g/mol:	136.088815
ΔH_f, kcal/mol:	40.21
Dipole, Da:	5.09
IP(EA), eV:	-9.02(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-methyl-2,3,4,5-tetrahydro-1-benzofuran

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)C2(N=C(C(=N2)N)C)C3(CCCCC3)C

DOS

IR

Vibrations