Geometry & MOs

Info

ID:	153810
PubChem CID:	56313125
Reduced:	ClFION2C19H19 (1)
Stoich.:	ABCDE2F19G19 (1)
Weight, g/mol:	413.190341
ΔH_f, kcal/mol:	-30.65
Dipole, Da:	4.67
IP(EA), eV:	-8.98(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[f]quinolin-5-yl-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=C(C=CC(=C2)Cl)I)CC3=CC=CC=C3F

DOS

IR

Vibrations