Geometry & MOs

Info

ID:	415755
PubChem CID:	135088755
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	335.19574
ΔH_f, kcal/mol:	-139.52
Dipole, Da:	0.85
IP(EA), eV:	-8.25(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CN1C(C(=O)N(C1=O)C)CC(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations