Geometry & MOs

Info

ID:	382488
PubChem CID:	134973687
Reduced:	NC3H4 (6)
Stoich.:	AB3C4 (6)
Weight, g/mol:	340.201159
ΔH_f, kcal/mol:	111.13
Dipole, Da:	8.47
IP(EA), eV:	-9.51(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-8-(2-methylpropyl)-3,4,5,6,9-pentazatricyclo[7.3.0.02,6]dodeca-2,4-dien-7-imine

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=NCC2=CC=CC=C2)N3C(=NN=N3)[C@@H]4N1CCC4

DOS

IR

Vibrations