Geometry & MOs

Info

ID:	188032
PubChem CID:	77656779
Reduced:	O4N6C17H28 (1)
Stoich.:	A4B6C17D28 (1)
Weight, g/mol:	442.08657
ΔH_f, kcal/mol:	-145.66
Dipole, Da:	4.18
IP(EA), eV:	-8.78(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-3-(4-methyl-6-morpholin-4-yl-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-ylidene)pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N=C(N)N(C1C=NN2C1=NCCC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations