Geometry & MOs

Info

ID:	192388
PubChem CID:	78263799
Reduced:	N3O3C14H26 (1)
Stoich.:	A3B3C14D26 (1)
Weight, g/mol:	354.140199
ΔH_f, kcal/mol:	-138.4
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753437
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5-methyl-2-propan-2-ylphenoxy)ethylsulfanyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC[NH+]1CCCC1CNC(=O)C(=O)NCC2CCCO2

DOS

IR

Vibrations