Geometry & MOs

Info

ID:	199266
PubChem CID:	79224648
Reduced:	SN3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	271.204848
ΔH_f, kcal/mol:	53.5
Dipole, Da:	2.04
IP(EA), eV:	-8.71(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine

Drug info:

PubChemData

Smile

CC(C)NCC1=NN(C=C1)CCSC2=CC=CC=C2

DOS

IR

Vibrations