Geometry & MOs

Info

ID:	344163
PubChem CID:	127267339
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	342.09642
ΔH_f, kcal/mol:	-101.6
Dipole, Da:	8.38
IP(EA), eV:	-9.98(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCCN(CC1)C(=O)CN2C=C(C(=O)NC2=O)C#N

DOS

IR

Vibrations