Geometry & MOs

Info

ID:	437195
PubChem CID:	135215756
Reduced:	ClFC19H30 (1)
Stoich.:	ABC19D30 (1)
Weight, g/mol:	198.096855
ΔH_f, kcal/mol:	-101.88
Dipole, Da:	2.65
IP(EA), eV:	-9.76(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(difluoromethyl)-7-ethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene

Drug info:

PubChemData

Smile

CCCCCCC(CCCCCC)C1=CC(=CC(=C1)Cl)F

DOS

IR

Vibrations