Geometry & MOs

Info

ID:	143443
PubChem CID:	53209865
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	308.127326
ΔH_f, kcal/mol:	29.86
Dipole, Da:	5.78
IP(EA), eV:	-8.29(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,11-dimethyl-N-phenyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CN3CCN(CC3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations