Geometry & MOs

Info

ID:	221208
PubChem CID:	85257263
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	297.124405
ΔH_f, kcal/mol:	-49.4
Dipole, Da:	2.33
IP(EA), eV:	-8.87(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorobutyl)-7-ethyl-4-hydroxyimino-5,6-dihydropyrrolo[2,3-c]azepin-8-one

Drug info:

PubChemData

Smile

CCOC(=O)C1C(N1C2=CC=CC=C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations