Geometry & MOs

Info

ID:	222283
PubChem CID:	85296179
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	312.193674
ΔH_f, kcal/mol:	55.6
Dipole, Da:	4.77
IP(EA), eV:	-9.24(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxy-1,6a-dimethyl-4-oxo-5,6,7,8,9,9a-hexahydro-2H-cyclopenta[d]oxocin-7-yl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C2C(C1)C2(C)C)C3C(C(=O)N3CC4=CC=CO4)N=[N+]=[N-]

DOS

IR

Vibrations