Geometry & MOs

Info

ID:	396205
PubChem CID:	135027717
Reduced:	O6H16C17 (1)
Stoich.:	A6B16C17 (1)
Weight, g/mol:	318.209599
ΔH_f, kcal/mol:	-213.22
Dipole, Da:	2.02
IP(EA), eV:	-9.39(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-methyl-10-(2-methylphenyl)-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene

Drug info:

PubChemData

Smile

CC1=CC2=C([C@H](CC(O2)(C(=O)OC)O)C3=CC=CC=C3)C(=O)O1

DOS

IR

Vibrations