Geometry & MOs

Info

ID:	330478
PubChem CID:	127247885
Reduced:	NOC6H11 (3)
Stoich.:	ABC6D11 (3)
Weight, g/mol:	348.179755
ΔH_f, kcal/mol:	-156.99
Dipole, Da:	4.64
IP(EA), eV:	-8.59(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-4-yl)-4-(6-oxo-1H-pyridine-3-carbonyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CN2CCN(CC(C2)C(=O)N)C3CCOCC3)O

DOS

IR

Vibrations