Geometry & MOs

Info

ID:	330166
PubChem CID:	127247153
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-15.52
Dipole, Da:	5.18
IP(EA), eV:	-9.3(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methyl-1H-pyrazole

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)CC(=O)N2CCC(C2)C3=C(C=NN3)C

DOS

IR

Vibrations