Geometry & MOs

Info

ID:	416196
PubChem CID:	135089206
Reduced:	OSN3C18H25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-4.37
Dipole, Da:	5.76
IP(EA), eV:	-8.8(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1C=NC=C1CN2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations