Geometry & MOs

Info

ID:	25630
PubChem CID:	627670
Reduced:	SN4H12C17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	305.152812
ΔH_f, kcal/mol:	104.59
Dipole, Da:	4.71
IP(EA), eV:	-8.55(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C3=C(S2)C4=NC5=CC=CC=C5N4C=N3)C

DOS

IR

Vibrations