Geometry & MOs

Info

ID:	361251
PubChem CID:	127302415
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-18.13
Dipole, Da:	3.1
IP(EA), eV:	-8.64(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCC2)NC(=O)C(C)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations