Geometry & MOs

Info

ID:	153698
PubChem CID:	56312992
Reduced:	FN4O4C27H27 (1)
Stoich.:	AB4C4D27E27 (1)
Weight, g/mol:	425.157326
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	3.9
IP(EA), eV:	-8.97(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(C=C1)N2CCCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations