Geometry & MOs

Info

ID:	374998
PubChem CID:	131408728
Reduced:	NSO4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	210.067224
ΔH_f, kcal/mol:	-46.09
Dipole, Da:	3.72
IP(EA), eV:	-8.7(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-tert-butyl-6-chloropyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C2=C(C=C1[N+](=O)[O-])SC=C2)O

DOS

IR

Vibrations