Geometry & MOs

Info

ID:	416900
PubChem CID:	135090743
Reduced:	N3O3C19H26 (2)
Stoich.:	A3B3C19D26 (2)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-223.77
Dipole, Da:	3.71
IP(EA), eV:	-8.44(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)CC3=CN(C4=CC=CC=C43)C

DOS

IR

Vibrations