Geometry & MOs

Info

ID:	177969
PubChem CID:	76259079
Reduced:	N2O6H22C25 (1)
Stoich.:	A2B6C22D25 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-142.76
Dipole, Da:	10.45
IP(EA), eV:	-9.28(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(azepan-1-yl)-1-oxopropan-2-yl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC(=O)COC(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=N3

DOS

IR

Vibrations