Geometry & MOs

Info

ID:	285175
PubChem CID:	104098476
Reduced:	ON3C5H6 (2)
Stoich.:	AB3C5D6 (2)
Weight, g/mol:	264.089022
ΔH_f, kcal/mol:	71.83
Dipole, Da:	5.52
IP(EA), eV:	-9.6(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-cyclopropyl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)[N+](=O)[O-])NCCN2C=CN=N2

DOS

IR

Vibrations