Geometry & MOs

Info

ID:	216103
PubChem CID:	85085728
Reduced:	ClN4C10H15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	228.099774
ΔH_f, kcal/mol:	41.82
Dipole, Da:	2.76
IP(EA), eV:	-8.62(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)NN=C(N)N(C)C

DOS

IR

Vibrations