Geometry & MOs

Info

ID:	285101
PubChem CID:	104097972
Reduced:	SN2O3C11H18 (1)
Stoich.:	AB2C3D11E18 (1)
Weight, g/mol:	225.184112
ΔH_f, kcal/mol:	-36.76
Dipole, Da:	7.23
IP(EA), eV:	-9.53(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]butan-2-ol

Drug info:

PubChemData

Smile

COCCCCCNCC1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations