Geometry & MOs

Info

ID:	210975
PubChem CID:	80878349
Reduced:	ClN2O3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	266.13789
ΔH_f, kcal/mol:	-10.91
Dipole, Da:	4.55
IP(EA), eV:	-9.03(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylcyclohexyl)oxy-5-nitropyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)OC2=CC=CC(=C2[N+](=O)[O-])N

DOS

IR

Vibrations