Geometry & MOs

Info

ID:	445687
PubChem CID:	135268929
Reduced:	FON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	572.06873
ΔH_f, kcal/mol:	-14.44
Dipole, Da:	2.09
IP(EA), eV:	-7.93(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methyl]-7-iodo-5-(3-nitrosopropyl)-2-pentoxy-7,8-dihydroimidazo[4,5-c]azepine-4,6-dione

Drug info:

PubChemData

Smile

CNC(=C)C1=C(N=C(N1CC2=CC=C(C=C2)F)OC3CCCC3)NC=C

DOS

IR

Vibrations