Geometry & MOs

Info

ID:	242606
PubChem CID:	97857576
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-34.93
Dipole, Da:	3.88
IP(EA), eV:	-8.08(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-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)C2=CC3=C(C=C2)OCCO3)C

DOS

IR

Vibrations