Geometry & MOs

Info

ID:	160746
PubChem CID:	57389655
Reduced:	ON5C25H27 (1)
Stoich.:	AB5C25D27 (1)
Weight, g/mol:	418.211724
ΔH_f, kcal/mol:	56.42
Dipole, Da:	5.06
IP(EA), eV:	-8.41(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-hydroxypyrimidin-2-imine

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=NC=N2)OC3CCN(C3)CC4=CN=CC=C4)CC5=CC=CC=C5)C

DOS

IR

Vibrations