Geometry & MOs

Info

ID:	154238
PubChem CID:	56313644
Reduced:	FON5C23H28 (1)
Stoich.:	ABC5D23E28 (1)
Weight, g/mol:	423.170668
ΔH_f, kcal/mol:	-15.4
Dipole, Da:	3.57
IP(EA), eV:	-9.01(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(4-imidazol-1-yl-3-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations