Geometry & MOs

Info

ID:	354082
PubChem CID:	127285886
Reduced:	ClN2O2C22H25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	267.137162
ΔH_f, kcal/mol:	-67.94
Dipole, Da:	3.64
IP(EA), eV:	-9.38(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1NC(=O)C(C3=CC=CC=C3)N4CCC(CC4)O)C=CC(=C2)Cl

DOS

IR

Vibrations