Geometry & MOs

Info

ID:	417947
PubChem CID:	135103160
Reduced:	N2O2C10H17 (2)
Stoich.:	A2B2C10D17 (2)
Weight, g/mol:	306.124739
ΔH_f, kcal/mol:	-182.9
Dipole, Da:	5.79
IP(EA), eV:	-8.82(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)N2CCC3(CC2)CN(C(=O)CCO3)CC(=O)N(C)C

DOS

IR

Vibrations