Geometry & MOs

Info

ID:	183652
PubChem CID:	77048673
Reduced:	SN3O4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	295.108754
ΔH_f, kcal/mol:	-89.85
Dipole, Da:	3.87
IP(EA), eV:	-9.49(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[(4-methoxybutan-2-ylamino)methyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=O)C12)C(=O)N3CC(C3)CC(=O)O

DOS

IR

Vibrations