Geometry & MOs

Info

ID:	305847
PubChem CID:	124971518
Reduced:	ON3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	309.184112
ΔH_f, kcal/mol:	-7.64
Dipole, Da:	5.5
IP(EA), eV:	-9.13(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)CC(=O)N3CC[C@@H](C3)C4=CC=NN4

DOS

IR

Vibrations