Geometry & MOs

Info

ID:	435625
PubChem CID:	135191967
Reduced:	NOC7H7 (4)
Stoich.:	ABC7D7 (4)
Weight, g/mol:	376.117155
ΔH_f, kcal/mol:	-42.02
Dipole, Da:	2.2
IP(EA), eV:	-8.6(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-N-(7-methyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazepin-3-ylidene)-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(OC1)CC2=CC=CC=C2)C(=O)N[C@@H]3COC4=C(C=C(C=C4)N5C=CC=N5)N(C3=O)C

DOS

IR

Vibrations