Geometry & MOs

Info

ID:	330174
PubChem CID:	127247161
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-36.73
Dipole, Da:	4.3
IP(EA), eV:	-9.44(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)CCC3=CC(=NO3)OC

DOS

IR

Vibrations