Geometry & MOs

Info

ID:	171907
PubChem CID:	75439269
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-73.5
Dipole, Da:	3.04
IP(EA), eV:	-9.16(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC=CC=C2CN3CCC(=O)NCC3

DOS

IR

Vibrations