Geometry & MOs

Info

ID:	302146
PubChem CID:	124349683
Reduced:	NOC6H8 (4)
Stoich.:	ABC6D8 (4)
Weight, g/mol:	412.247441
ΔH_f, kcal/mol:	-164.75
Dipole, Da:	6.67
IP(EA), eV:	-9.0(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1'-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]spiro[1,3-dihydroquinazoline-2,5'-azepane]-2',4-dione

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCN2CCCC[C@@H]2C1)N3CC[C@]4(CCC3=O)NC(=O)C5=CC=CC=C5O4

DOS

IR

Vibrations