Geometry & MOs

Info

ID:	178647
PubChem CID:	76362257
Reduced:	O2N6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	427.243084
ΔH_f, kcal/mol:	90.07
Dipole, Da:	5.97
IP(EA), eV:	-8.74(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-[6-amino-1-(2-methoxyethyl)-2,4-dioxo-1,3-diazinan-5-yl]-2-oxoethyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=CC=CC=C2)N3CCN(CC3)CC4=NC(=O)C5C=CC=CC5=N4

DOS

IR

Vibrations