Geometry & MOs

Info

ID:	330482
PubChem CID:	127247889
Reduced:	FO2N3C19H28 (1)
Stoich.:	AB2C3D19E28 (1)
Weight, g/mol:	280.153541
ΔH_f, kcal/mol:	-115.14
Dipole, Da:	4.61
IP(EA), eV:	-8.87(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1N2CCN(CC(C2)C(=O)N)CCC3=CC=C(C=C3)F

DOS

IR

Vibrations