Geometry & MOs

Info

ID:	402013
PubChem CID:	135053866
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	339.102606
ΔH_f, kcal/mol:	-31.96
Dipole, Da:	6.21
IP(EA), eV:	-9.7(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-(9-methyl-3,4-dihydro-1H-pyrano[3,4-b]indol-4-yl)ethanone

Drug info:

PubChemData

Smile

CCCC[C@H]1[C@@H]([C@@H]([C@H](C=C1C=O)C)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations