Geometry & MOs

Info

ID:	330446
PubChem CID:	127247850
Reduced:	O2N4C15H28 (1)
Stoich.:	A2B4C15D28 (1)
Weight, g/mol:	308.148455
ΔH_f, kcal/mol:	-95.77
Dipole, Da:	6.39
IP(EA), eV:	-8.72(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-(5-ethyl-1,2-oxazole-3-carbonyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)N2CCN(CC(C2)C(=O)N)C(=O)C

DOS

IR

Vibrations