Geometry & MOs

Info

ID:	446465
PubChem CID:	135275202
Reduced:	NP2S2O6C23H49 (1)
Stoich.:	AB2C2D6E23F49 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-484.04
Dipole, Da:	3.07
IP(EA), eV:	-8.96(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-methyl-8-(3-methylbutan-2-yl)-1H-quinazolin-2-one

Drug info:

PubChemData

Smile

CC(C)C(CSP(=O)(OC(C)(C)C)OC(C)(C)C)P(=O)(OC(C)(C)C)SCCN1CCOCC1

DOS

IR

Vibrations