Geometry & MOs

Info

ID:	43869
PubChem CID:	10321906
Reduced:	N6O6C21H26 (1)
Stoich.:	A6B6C21D26 (1)
Weight, g/mol:	420.11215
ΔH_f, kcal/mol:	-211.82
Dipole, Da:	16.18
IP(EA), eV:	-8.53(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(9E)-9-[ethoxy(hydroxy)methylidene]-3-fluoro-6,10-dioxoazepino[1,2-a]indol-7-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=C(NC(=NC2=O)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

DOS

IR

Vibrations