Geometry & MOs

Info

ID:	182204
PubChem CID:	76858494
Reduced:	BrN4O4C17H17 (1)
Stoich.:	AB4C4D17E17 (1)
Weight, g/mol:	423.154269
ΔH_f, kcal/mol:	-86.89
Dipole, Da:	4.33
IP(EA), eV:	-9.72(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-N-methyl-3-(2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations