Geometry & MOs

Info

ID:	393242
PubChem CID:	135019850
Reduced:	INO4C16H18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	335.05209
ΔH_f, kcal/mol:	-141.18
Dipole, Da:	3.82
IP(EA), eV:	-9.31(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-ethenyl-9-(methoxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]indole

Drug info:

PubChemData

Smile

CCCC1[C@@H]2[C@H]([C@@H](C3=CC=CC=C3N2C(=O)OC)OC1=O)I

DOS

IR

Vibrations