Geometry & MOs

Info

ID:	381225
PubChem CID:	134971890
Reduced:	INO3H14C18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	346.168128
ΔH_f, kcal/mol:	-63.42
Dipole, Da:	8.93
IP(EA), eV:	-9.18(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-1',3',3'-trimethylspiro[2H-benzo[f][1,4]benzoxazine-3,2'-indole]

Drug info:

PubChemData

Smile

CC1CC2C3=C(C(=CC=C3)C(=O)O)C(=O)N2C4=C1C=C(C=C4)I

DOS

IR

Vibrations