Geometry & MOs

Info

ID:	330479
PubChem CID:	127247886
Reduced:	N4O4C17H24 (1)
Stoich.:	A4B4C17D24 (1)
Weight, g/mol:	348.179755
ΔH_f, kcal/mol:	-149.42
Dipole, Da:	3.48
IP(EA), eV:	-9.46(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-4-yl)-4-(6-oxo-1H-pyridine-2-carbonyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1N2CCN(CC(C2)C(=O)N)C(=O)C3=CNC(=O)C=C3

DOS

IR

Vibrations