Geometry & MOs

Info

ID:

421367

PubChem CID:

135115873

Reduced:

O3N4C15H21 (2)

Stoich.:

A3B4C15D21 (2)

Weight, g/mol:

387.20591

ΔHf, kcal/mol:

-238.84

Dipole, Da:

12.84

IP(EA), eV:

 -9.15(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(1-methylimidazol-2-yl)phenyl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

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=CN(C=N2)C)C)CC3=CC=CC=C3

DOS

IR

Vibrations