Geometry & MOs

Info

ID:	417571
PubChem CID:	135102080
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-30.23
Dipole, Da:	8.74
IP(EA), eV:	-8.6(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylimidazol-1-yl)-1-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2(CC2(C)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations