Geometry & MOs

Info

ID:	333455
PubChem CID:	127252007
Reduced:	ON6C22H30 (1)
Stoich.:	AB6C22D30 (1)
Weight, g/mol:	394.24811
ΔH_f, kcal/mol:	14.21
Dipole, Da:	4.47
IP(EA), eV:	-8.73(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-1-[2-[6-(pyrazin-2-ylamino)pyridin-3-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC(=O)N2CCCCC2C3=CN=C(C=C3)NC4=NC=CC=N4

DOS

IR

Vibrations