Geometry & MOs

Info

ID:	154119
PubChem CID:	56313508
Reduced:	FON2C12H13 (2)
Stoich.:	ABC2D12E13 (2)
Weight, g/mol:	405.161933
ΔH_f, kcal/mol:	-78.92
Dipole, Da:	5.19
IP(EA), eV:	-8.92(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-6-propan-2-yloxypyridin-3-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NOC(=N2)CCC(=O)N3CCCN(CC3)CC4=CC=CC=C4F)F

DOS

IR

Vibrations