Geometry & MOs

Info

ID:	369381
PubChem CID:	127332931
Reduced:	NOC4H6 (4)
Stoich.:	ABC4D6 (4)
Weight, g/mol:	359.19574
ΔH_f, kcal/mol:	-80.09
Dipole, Da:	3.46
IP(EA), eV:	-8.93(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2COCCO2)CC3=NOC(=N3)C4CC4

DOS

IR

Vibrations