Geometry & MOs

Info

ID:	217049
PubChem CID:	85087162
Reduced:	ClSN2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	326.0266
ΔH_f, kcal/mol:	24.45
Dipole, Da:	7.73
IP(EA), eV:	-8.45(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3-hydroxybutyl)-8-methoxy-8H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2CC(NC(=S)N2)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations