Geometry & MOs

Info

ID:	185609
PubChem CID:	77320058
Reduced:	N2O3C21H32 (1)
Stoich.:	A2B3C21D32 (1)
Weight, g/mol:	409.01749
ΔH_f, kcal/mol:	-150.14
Dipole, Da:	3.89
IP(EA), eV:	-8.99(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-6-(methylaminomethyl)-5,6-dihydrobenzo[b][1]benzoxepine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=C)NC1C(CC2=CC=CC=C12)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations