Geometry & MOs

Info

ID:	154350
PubChem CID:	56313766
Reduced:	FON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	414.174356
ΔH_f, kcal/mol:	-14.71
Dipole, Da:	5.21
IP(EA), eV:	-8.43(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]fluoren-9-one

Drug info:

PubChemData

Smile

CC1=NN(CC1)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations