Geometry & MOs

Info

ID:	166335
PubChem CID:	74671873
Reduced:	O2N4C20H31 (1)
Stoich.:	A2B4C20D31 (1)
Weight, g/mol:	435.179421
ΔH_f, kcal/mol:	-80.77
Dipole, Da:	7.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755259
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-amino-1-benzyl-3-methyl-2,4-dioxo-1,3-diazinan-5-yl)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC2=C(CCCC2)C=C1)NC(=O)NC3CC[NH+](CC3)CC(=O)N

DOS

IR

Vibrations