Geometry & MOs

Info

ID:

415653

PubChem CID:

135088652

Reduced:

N7O7C34H47 (1)

Stoich.:

A7B7C34D47 (1)

Weight, g/mol:

353.185175

ΔHf, kcal/mol:

-272.85

Dipole, Da:

12.89

IP(EA), eV:

 -9.3(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=C(NC(=C2C)C(=O)C)C)C)CC3=CC=CC=C3

DOS

IR

Vibrations