Geometry & MOs

Info

ID:	205879
PubChem CID:	80171102
Reduced:	NOC16H33 (1)
Stoich.:	ABC16D33 (1)
Weight, g/mol:	284.148455
ΔH_f, kcal/mol:	-108.8
Dipole, Da:	0.85
IP(EA), eV:	-8.79(2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methyloxolan-2-yl)methylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCNCC1(CCCO1)C

DOS

IR

Vibrations