Geometry & MOs

Info

ID:	305478
PubChem CID:	124956034
Reduced:	N7C19H23 (1)
Stoich.:	A7B19C23 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	102.84
Dipole, Da:	3.77
IP(EA), eV:	-9.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=NN2)CC3=CC(=NC=N3)NC4=CC=CC=N4

DOS

IR

Vibrations