Geometry & MOs

Info

ID:	145478
PubChem CID:	53530725
Reduced:	ClSN2O2C15H15 (1)
Stoich.:	ABC2D2E15F15 (1)
Weight, g/mol:	297.184112
ΔH_f, kcal/mol:	-44.93
Dipole, Da:	1.45
IP(EA), eV:	-9.48(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propyl-1'-prop-2-ynylspiro[1H-quinazoline-2,4'-piperidine]-4-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](C2=CC=CC=C21)NC(=O)NCC3=CC=C(S3)Cl)O

DOS

IR

Vibrations