Geometry & MOs

Info

ID:	379893
PubChem CID:	134964011
Reduced:	BrNO2H16C19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	3.89
Dipole, Da:	2.07
IP(EA), eV:	-8.54(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol

Drug info:

PubChemData

Smile

COC(=O)C(=C)[C@H](C1=CC=CC=C1)N2C=CC3=C2C(=CC=C3)Br

DOS

IR

Vibrations