Geometry & MOs

Info

ID:	133243
PubChem CID:	51497000
Reduced:	ON3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	314.223238
ΔH_f, kcal/mol:	-0.15
Dipole, Da:	2.76
IP(EA), eV:	-8.47(0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)CN(C[C@@H]2CCCO2)CC3=CC=CC=C3)C

DOS

IR

Vibrations