Geometry & MOs

Info

ID:	65452
PubChem CID:	38671680
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	444.03208
ΔH_f, kcal/mol:	-59.85
Dipole, Da:	3.81
IP(EA), eV:	-8.91(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 5-bromo-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=CC=CC=C2N1C(=O)[C@H](C)OC(=O)C3=C(N=C4C(=C3)C(=NN4C)C)C

DOS

IR

Vibrations