Geometry & MOs

Info

ID:	154461
PubChem CID:	56313902
Reduced:	FOS2N3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	434.211804
ΔH_f, kcal/mol:	4.71
Dipole, Da:	4.6
IP(EA), eV:	-8.75(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[2-(2-methoxyanilino)pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CSC(=N2)C3=CC=CS3)CC4=CC=CC=C4F

DOS

IR

Vibrations