Geometry & MOs

Info

ID:	192269
PubChem CID:	78250691
Reduced:	OS2N3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	86.69
Dipole, Da:	28.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772227
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-3-ethyl-4-methylidene-6H-quinazolin-2-one

Drug info:

PubChemData

Smile

C1C[NH+](CC2=C1C3C(S2)NC(=S)N(C3=O)C4=CC=CC=C4)CCC5=CC=CC=C5

DOS

IR

Vibrations