Geometry & MOs

Info

ID:	359787
PubChem CID:	127299831
Reduced:	ON5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	393.252861
ΔH_f, kcal/mol:	-1.26
Dipole, Da:	3.46
IP(EA), eV:	-9.04(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C2=CC=CC=N2)N3CCCN(CC3)C(=O)CC4CCCC4

DOS

IR

Vibrations