Geometry & MOs

Info

ID:	145577
PubChem CID:	53547785
Reduced:	OSN3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	14.75
Dipole, Da:	4.55
IP(EA), eV:	-8.59(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxypropyl)-N-pyridin-2-yl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCN(CC1)C2=CC=CC=N2)C(=O)CSC3=CC=CC=C3

DOS

IR

Vibrations