Geometry & MOs

Info

ID:	170915
PubChem CID:	75300785
Reduced:	SN8C22H28 (1)
Stoich.:	AB8C22D28 (1)
Weight, g/mol:	266.151809
ΔH_f, kcal/mol:	121.63
Dipole, Da:	6.26
IP(EA), eV:	-8.91(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7a-hydroxy-3a,5-dimethyl-3-oxo-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-5-carboxylate

Drug info:

PubChemData

Smile

CN(C)CCNC1=NC(=NC(=N1)SC2=CC=CC=C2)NC3CC(NN3)C4=CC=CC=C4

DOS

IR

Vibrations