Geometry & MOs

Info

ID:	242605
PubChem CID:	97857575
Reduced:	ON4C17H30 (1)
Stoich.:	AB4C17D30 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-51.34
Dipole, Da:	3.93
IP(EA), eV:	-8.2(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-ethyl-3,5-dimethylpyrazol-4-amine

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)N[C@H](C)CC(=O)N2CCCCCC2)C

DOS

IR

Vibrations