Geometry & MOs

Info

ID:	420109
PubChem CID:	135111193
Reduced:	ClON2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-41.86
Dipole, Da:	6.74
IP(EA), eV:	-8.1(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C)O

DOS

IR

Vibrations