Geometry & MOs

Info

ID:	319307
PubChem CID:	126655572
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-61.07
Dipole, Da:	4.76
IP(EA), eV:	-8.54(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC1(C(=O)O)O)C2=NN(C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations