Geometry & MOs

Info

ID:	991
PubChem CID:	3630
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	2.93
Dipole, Da:	8.1
IP(EA), eV:	-8.4(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3-dien-5-one

Drug info:

PubChemData

Smile

CC=C1C2CC(CC1(C3=C(C2)NC(=O)C=C3)N)C

DOS

IR

Vibrations