Geometry & MOs

Info

ID:	196421
PubChem CID:	78821116
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	412.222289
ΔH_f, kcal/mol:	-51.83
Dipole, Da:	3.34
IP(EA), eV:	-9.06(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[2-cyanoethyl(methyl)amino]-N-(2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)CN(CC2=CC=CC=C2O)CC3=CC=CO3

DOS

IR

Vibrations