Geometry & MOs

Info

ID:	361545
PubChem CID:	127303737
Reduced:	SO2N6C17H18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	8.66
Dipole, Da:	7.1
IP(EA), eV:	-9.17(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NCC4=NN=CN4C5CC5

DOS

IR

Vibrations