Geometry & MOs

Info

ID:	415474
PubChem CID:	135088469
Reduced:	N5O5C27H35 (1)
Stoich.:	A5B5C27D35 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-177.77
Dipole, Da:	6.27
IP(EA), eV:	-8.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-aminocyclopentyl)-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)C3=CN=CC=C3

DOS

IR

Vibrations