Geometry & MOs

Info

ID:	415757
PubChem CID:	135088757
Reduced:	O4N5C22H29 (1)
Stoich.:	A4B5C22D29 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-104.89
Dipole, Da:	4.15
IP(EA), eV:	-9.17(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)N3CCCC(C3)CCNC(=O)CCC4=CN(CCO2)N=N4

DOS

IR

Vibrations