Geometry & MOs

Info

ID:	405848
PubChem CID:	135075624
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-38.11
Dipole, Da:	6.97
IP(EA), eV:	-9.21(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,4,4a,9b-tetrahydro-1H-pyrano[4,3-b]indole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=CC=C1/C=C/C#N

DOS

IR

Vibrations