Geometry & MOs

Info

ID:	397153
PubChem CID:	135029813
Reduced:	O2C21H28 (1)
Stoich.:	A2B21C28 (1)
Weight, g/mol:	462.179087
ΔH_f, kcal/mol:	-58.61
Dipole, Da:	2.08
IP(EA), eV:	-8.91(0.33)
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-1-benzazepine-4,3'-indole]-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C/C=C/C#CC2(OCCO2)C(C)(C)C)C

DOS

IR

Vibrations