Geometry & MOs

Info

ID:	154353
PubChem CID:	56313770
Reduced:	FOSN4C27H27 (1)
Stoich.:	ABCD4E27F27 (1)
Weight, g/mol:	396.196154
ΔH_f, kcal/mol:	17.3
Dipole, Da:	4.92
IP(EA), eV:	-8.73(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)SCC3=CN4C=CC=CC4=N3)CC5=CC=CC=C5F

DOS

IR

Vibrations