Geometry & MOs

Info

ID:	220987
PubChem CID:	85248132
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-37.69
Dipole, Da:	3.68
IP(EA), eV:	-8.9(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-12-oxa-7-azatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),4,9-tetraen-6-one

Drug info:

PubChemData

Smile

COC1CCC2C(C1)C(=O)NN2CC3=CC=CC=N3

DOS

IR

Vibrations