Geometry & MOs

Info

ID:	425871
PubChem CID:	135128457
Reduced:	Cl2N2O3C15H16 (1)
Stoich.:	A2B2C3D15E16 (1)
Weight, g/mol:	201.076534
ΔH_f, kcal/mol:	-92.77
Dipole, Da:	3.86
IP(EA), eV:	-9.26(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,3Z)-4-methyl-2-(trifluoromethyl)cycloocta-1,3-dien-6-yn-1-amine

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=C(C3=C(O2)C=CC(=C3)Cl)Cl)C(=O)CO

DOS

IR

Vibrations