Geometry & MOs

Info

ID:	359786
PubChem CID:	127299830
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	393.252861
ΔH_f, kcal/mol:	50.47
Dipole, Da:	4.88
IP(EA), eV:	-9.28(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C2N1N=C(C=C2)NC3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations