Geometry & MOs

Info

ID:	418080
PubChem CID:	135103489
Reduced:	ON9C17H21 (1)
Stoich.:	AB9C17D21 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	87.61
Dipole, Da:	3.04
IP(EA), eV:	-9.02(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)NCC3=NC(=NN3)C4=NC=CN=C4

DOS

IR

Vibrations