Geometry & MOs

Info

ID:	43214
PubChem CID:	10319676
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	415.083602
ΔH_f, kcal/mol:	15.49
Dipole, Da:	5.62
IP(EA), eV:	-7.92(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-amino-1,3-oxazol-2-yl)phenyl]-3-(5-chloropyridin-2-yl)quinazolin-4-one

Drug info:

PubChemData

Smile

C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)N=CC=C8

DOS

IR

Vibrations