Geometry & MOs

Info

ID:	255254
PubChem CID:	103130934
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	192.112344
ΔH_f, kcal/mol:	-5.91
Dipole, Da:	4.97
IP(EA), eV:	-8.51(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(1-methylpyrazol-3-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2COC3=CC=CC=C3O2)N

DOS

IR

Vibrations