Geometry & MOs

Info

ID:	171469
PubChem CID:	75381190
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-6.66
Dipole, Da:	7.66
IP(EA), eV:	-8.41(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopentyl(methyl)amino]phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1CO)C2=CC=CC=C2NCC3=CSC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations