Geometry & MOs

Info

ID:	255341
PubChem CID:	103131491
Reduced:	ON5C10H13 (1)
Stoich.:	AB5C10D13 (1)
Weight, g/mol:	163.110947
ΔH_f, kcal/mol:	40.99
Dipole, Da:	4.04
IP(EA), eV:	-9.38(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(1-methylpyrazol-3-yl)prop-2-yn-1-amine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=CC(=NC=N2)OC)N

DOS

IR

Vibrations