Geometry & MOs

Info

ID:	396937
PubChem CID:	135029484
Reduced:	ClNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	512.194737
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	3.93
IP(EA), eV:	-8.96(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 3-O-methyl 1'-acetyl-2'-oxospiro[5H-benzo[h][1]benzazepine-4,3'-indole]-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC2=CC=CC=C2C=C1CCl

DOS

IR

Vibrations