Geometry & MOs

Info

ID:	21035
PubChem CID:	586892
Reduced:	Cl2O2N5H11C12 (1)
Stoich.:	A2B2C5D11E12 (1)
Weight, g/mol:	327.02898
ΔH_f, kcal/mol:	8.32
Dipole, Da:	8.74
IP(EA), eV:	-9.35(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-[(3,4-dichlorophenyl)methyl]nitrous amide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)N)N(CC2=CC(=C(C=C2)Cl)Cl)N=O

DOS

IR

Vibrations