Geometry & MOs

Info

ID:	285167
PubChem CID:	104098450
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	224.057722
ΔH_f, kcal/mol:	52.23
Dipole, Da:	6.41
IP(EA), eV:	-9.59(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2(CC2)CNCC3=CC=C(S3)[N+](=O)[O-]

DOS

IR

Vibrations