Geometry & MOs

Info

ID:	448622
PubChem CID:	135292311
Reduced:	SN3O3H33C39 (1)
Stoich.:	AB3C3D33E39 (1)
Weight, g/mol:	179.1674
ΔH_f, kcal/mol:	-14.05
Dipole, Da:	4.02
IP(EA), eV:	-8.76(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-3-bicyclo[5.1.1]non-6-enyl)methanamine

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)NC(=O)SCC6=CC=CC=C6

DOS

IR

Vibrations