Geometry & MOs

Info

ID:	423382
PubChem CID:	135119401
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	61.27
Dipole, Da:	0.72
IP(EA), eV:	-8.58(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCCC2)NCC3=NC(=NO3)C4CC4

DOS

IR

Vibrations