Geometry & MOs

Info

ID:	416518
PubChem CID:	135089544
Reduced:	ON5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-8.57
Dipole, Da:	2.68
IP(EA), eV:	-8.32(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=CN=CC(=N3)N(C)C)CO

DOS

IR

Vibrations