Geometry & MOs

Info

ID:	305846
PubChem CID:	124971514
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	309.184112
ΔH_f, kcal/mol:	-11.28
Dipole, Da:	4.43
IP(EA), eV:	-9.67(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=CN=CO2)CC3=CC=NN3

DOS

IR

Vibrations