Geometry & MOs

Info

ID:	420116
PubChem CID:	135111247
Reduced:	N3O3C14H20 (2)
Stoich.:	A3B3C14D20 (2)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-260.5
Dipole, Da:	5.39
IP(EA), eV:	-9.61(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)CNC(=O)C)CC3=CC=CC=C3)C(C)C

DOS

IR

Vibrations