Geometry & MOs

Info

ID:	415690
PubChem CID:	135088689
Reduced:	OSN4C16H18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	20.7
Dipole, Da:	4.56
IP(EA), eV:	-9.46(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxypyridin-3-yl)-[4-[2-(5-methylpyrazol-1-yl)ethyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CSC=N4

DOS

IR

Vibrations