Geometry & MOs

Info

ID:	159123
PubChem CID:	57260461
Reduced:	BSiN2H36C39 (1)
Stoich.:	ABC2D36E39 (1)
Weight, g/mol:	424.199822
ΔH_f, kcal/mol:	897.19
Dipole, Da:	5.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 5.887967
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]-2-propoxypropanoate

Drug info:

PubChemData

Smile

[B](C1=NC=CN1C[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C(C)C)C(=CC5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations