Geometry & MOs

Info

ID:	145482
PubChem CID:	53533012
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	331.168462
ΔH_f, kcal/mol:	-54.5
Dipole, Da:	6.07
IP(EA), eV:	-9.31(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NCC4=CC=CO4

DOS

IR

Vibrations