Geometry & MOs

Info

ID:	330172
PubChem CID:	127247159
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	-8.54
Dipole, Da:	3.98
IP(EA), eV:	-9.5(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CCC(=O)N2CCC(C2)C3=C(C=NN3)C

DOS

IR

Vibrations