Geometry & MOs

Info

ID:	199272
PubChem CID:	79224919
Reduced:	N3C12H23 (1)
Stoich.:	A3B12C23 (1)
Weight, g/mol:	223.204848
ΔH_f, kcal/mol:	1.09
Dipole, Da:	1.52
IP(EA), eV:	-8.83(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1CC)CC)CCNC

DOS

IR

Vibrations