Geometry & MOs

Info

ID:	174650
PubChem CID:	75801060
Reduced:	N2O3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	383.172417
ΔH_f, kcal/mol:	-82.56
Dipole, Da:	6.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756553
Charge, e:	0

Chem-info

IUPAC name:

2-(7-chloro-1,3-dimethyl-2,4-dioxo-8,8a-dihydroimidazo[1,2-a][1,3,5]triazin-6-yl)-N-(4-ethylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C(=O)CC(C2=O)[NH2+]CCC3=CCCCC3

DOS

IR

Vibrations