Geometry & MOs

Info

ID:	330454
PubChem CID:	127247858
Reduced:	N3O4C17H25 (1)
Stoich.:	A3B4C17D25 (1)
Weight, g/mol:	338.15902
ΔH_f, kcal/mol:	-150.26
Dipole, Da:	6.48
IP(EA), eV:	-8.54(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)N)CC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations