Geometry & MOs

Info

ID:	130860
PubChem CID:	51118876
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	282.151433
ΔH_f, kcal/mol:	-89.97
Dipole, Da:	4.54
IP(EA), eV:	-8.68(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(dimethylamino)cycloheptyl]methyl]-1,2,5-thiadiazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCCN(C2)C(=O)NC3=CC=CC(=C3)COCCOC4=CC=CC=C4

DOS

IR

Vibrations