Geometry & MOs

Info

ID:	208099
PubChem CID:	80496343
Reduced:	N3C4H5 (2)
Stoich.:	A3B4C5 (2)
Weight, g/mol:	204.112344
ΔH_f, kcal/mol:	98.86
Dipole, Da:	4.27
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-2-(2H-triazol-4-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC=C1)C2=NNN=C2

DOS

IR

Vibrations