Geometry & MOs

Info

ID:	441399
PubChem CID:	135234495
Reduced:	ON9H23C26 (1)
Stoich.:	AB9C23D26 (1)
Weight, g/mol:	177.15175
ΔH_f, kcal/mol:	176.3
Dipole, Da:	6.46
IP(EA), eV:	-8.78(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-1-methylbicyclo[7.2.0]undeca-2,6-dien-5-amine

Drug info:

PubChemData

Smile

CCCC(NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\N=C5C(=CC=NC5=N4)C6=CC=NC=C6)/NN3)O

DOS

IR

Vibrations