Geometry & MOs

Info

ID:	169667
PubChem CID:	75133744
Reduced:	O3N5C17H26 (1)
Stoich.:	A3B5C17D26 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-98.09
Dipole, Da:	5.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.989212
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)N(C)CCCNC(=O)C1=CC2C(=[N+](C(=O)N(C2=O)C)C)N=C1

DOS

IR

Vibrations