Geometry & MOs

Info

ID:	153605
PubChem CID:	56312870
Reduced:	FO2N3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	365.190341
ΔH_f, kcal/mol:	-58.82
Dipole, Da:	4.68
IP(EA), eV:	-8.12(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C=C2)CC(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations