Geometry & MOs

Info

ID:	286772
PubChem CID:	104222331
Reduced:	SN4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	218.127994
ΔH_f, kcal/mol:	34.78
Dipole, Da:	3.06
IP(EA), eV:	-8.52(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(CSC)N(C)C1=NC=C(C=N1)CN

DOS

IR

Vibrations