Geometry & MOs

Info

ID:	330120
PubChem CID:	127247107
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	7.53
Dipole, Da:	4.28
IP(EA), eV:	-8.93(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCC(=O)N2CCC(C2)C3=CC=NN3)C

DOS

IR

Vibrations