Geometry & MOs

Info

ID:	361255
PubChem CID:	127302419
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-15.74
Dipole, Da:	4.89
IP(EA), eV:	-9.18(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCCCC2)NC(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations