Geometry & MOs

Info

ID:	216697
PubChem CID:	85086631
Reduced:	O2N3H13C17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	39.38
Dipole, Da:	5.38
IP(EA), eV:	-8.82(-2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethoxy-5-oxa-9-azatetracyclo[7.7.0.01,12.02,6]hexadec-2-en-10-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C=C2C(=O)N=C3C=CC=CC3=N2

DOS

IR

Vibrations