Geometry & MOs

Info

ID:	422334
PubChem CID:	135117655
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-60.13
Dipole, Da:	10.11
IP(EA), eV:	-9.58(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)CC3=CC(=O)N=C(N3)C

DOS

IR

Vibrations