Geometry & MOs

Info

ID:	127965
PubChem CID:	51025047
Reduced:	OS2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	122.8
Dipole, Da:	12.71
IP(EA), eV:	-8.59(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5S)-5,7,7-trimethoxybicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=S)NNC(=S)N[C@H]2C[C@@H]3CC[C@H]2C3

DOS

IR

Vibrations