Geometry & MOs

Info

ID:	299868
PubChem CID:	117758803
Reduced:	N8O15C59H94 (1)
Stoich.:	A8B15C59D94 (1)
Weight, g/mol:	184.157563
ΔH_f, kcal/mol:	-724.7
Dipole, Da:	11.92
IP(EA), eV:	-8.73(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxypyrrolidin-3-yl)piperidine

Drug info:

Smile

CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)N[C@H](C(=O)N2CCCC2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)OC(C)(C)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C(C)C)O

DOS

IR

Vibrations