Geometry & MOs

Info

ID:	248104
PubChem CID:	103078955
Reduced:	O2N5C13H23 (1)
Stoich.:	A2B5C13D23 (1)
Weight, g/mol:	210.148061
ΔH_f, kcal/mol:	-63.45
Dipole, Da:	4.56
IP(EA), eV:	-8.12(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=NN(C=C2N)C

DOS

IR

Vibrations