Geometry & MOs

Info

ID:	134107
PubChem CID:	51644584
Reduced:	ON5C23H37 (1)
Stoich.:	AB5C23D37 (1)
Weight, g/mol:	476.20597
ΔH_f, kcal/mol:	-15.87
Dipole, Da:	6.27
IP(EA), eV:	-8.92(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3-[4-[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-4-oxobutyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C[C@H](C1CC1)N(CC2CCCCC2)CC3=NN=C4N3C5CCCCC5C(=O)N4C

DOS

IR

Vibrations