Geometry & MOs

Info

ID:	168650
PubChem CID:	74998329
Reduced:	N5O7C13H19 (1)
Stoich.:	A5B7C13D19 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-237.66
Dipole, Da:	4.68
IP(EA), eV:	-10.39(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)but-2-enyl]-9H-xanthene-9-carboxamide

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)OCCO)N=[N+]=[N-]

DOS

IR

Vibrations