Geometry & MOs

Info

ID:	370548
PubChem CID:	127339629
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-125.04
Dipole, Da:	5.44
IP(EA), eV:	-9.51(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCS1(=O)=O)C(=O)C2=C(C=CC(=C2)C)C

DOS

IR

Vibrations