Geometry & MOs

Info

ID:	297636
PubChem CID:	117624540
Reduced:	O2N5C25H27 (1)
Stoich.:	A2B5C25D27 (1)
Weight, g/mol:	373.142641
ΔH_f, kcal/mol:	15.23
Dipole, Da:	6.88
IP(EA), eV:	-9.16(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-2-amino-4-oxopent-2-en-3-yl]-7-(6-methylquinolin-5-yl)-3H-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)C2=CNN(C2=O)C3=NC=C(C=C3)C(=O)N4CCC[C@H](C4)C(C)C

DOS

IR

Vibrations