Geometry & MOs

Info

ID:	319214
PubChem CID:	126655342
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	167.105862
ΔH_f, kcal/mol:	12.76
Dipole, Da:	0.64
IP(EA), eV:	-8.03(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1(CCN(C1)C2=NN(C=C2)CC3=CC=CC=C3)O

DOS

IR

Vibrations