Geometry & MOs

Info

ID:	330188
PubChem CID:	127247175
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	-3.09
Dipole, Da:	6.21
IP(EA), eV:	-9.28(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=N1)C)C(=O)N2CCC(C2)C3=C(C=NN3)C)C

DOS

IR

Vibrations