Geometry & MOs

Info

ID:	392388
PubChem CID:	135015222
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	346.168128
ΔH_f, kcal/mol:	-101.88
Dipole, Da:	3.74
IP(EA), eV:	-8.77(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-methyl-13-phenyl-1,11-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-14-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1(C2=CC=CC=C2N(C1=O)C)CC3=CC=CC=C3

DOS

IR

Vibrations