Geometry & MOs

Info

ID:	357324
PubChem CID:	127293957
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-23.47
Dipole, Da:	4.67
IP(EA), eV:	-9.77(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCC2CC(CCC2C1)NC(=O)C3=CC=C(C=C3)C4=NOC=N4

DOS

IR

Vibrations