Geometry & MOs

Info

ID:	16355
PubChem CID:	465253
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-11.4
Dipole, Da:	2.55
IP(EA), eV:	-8.61(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,11-dimethyl-10-(2-methylprop-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one

Drug info:

PubChemData

Smile

CC(=C)CN1CC2=C3C(=CC=C2)NC(=O)N3CC1(C)C

DOS

IR

Vibrations