Geometry & MOs

Info

ID:	421025
PubChem CID:	135115251
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-80.19
Dipole, Da:	4.82
IP(EA), eV:	-9.4(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylamino)-1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1NC2CCN(CC2)CC(=O)O)C

DOS

IR

Vibrations