Geometry & MOs

Info

ID:	58898
PubChem CID:	24715152
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-8.75
Dipole, Da:	3.06
IP(EA), eV:	-8.53(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-pentanoylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)C2=C(N=C3C(=CC=CN3C2=O)O)C

DOS

IR

Vibrations