Geometry & MOs

Info

ID:	392397
PubChem CID:	135015350
Reduced:	N2O5C15H28 (1)
Stoich.:	A2B5C15D28 (1)
Weight, g/mol:	176.094963
ΔH_f, kcal/mol:	-269.17
Dipole, Da:	3.13
IP(EA), eV:	-9.9(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aS)-3-amino-6,7,8,8a-tetrahydro-1H-isochromene-4-carbonitrile

Drug info:

PubChemData

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C[C@H](C[C@H](C)NC(=O)NC(C)CC(C)C(=O)OC)C(=O)OC

DOS

IR

Vibrations