Geometry & MOs

Info

ID:	154450
PubChem CID:	56313891
Reduced:	FO2N6C19H25 (1)
Stoich.:	AB2C6D19E25 (1)
Weight, g/mol:	444.213696
ΔH_f, kcal/mol:	-30.1
Dipole, Da:	6.67
IP(EA), eV:	-8.82(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-difluorobenzimidazol-1-yl)-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1C=C(N=N1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations