Geometry & MOs

Info

ID:	333184
PubChem CID:	127251732
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-3.15
Dipole, Da:	3.82
IP(EA), eV:	-8.78(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)C2=NNC(=C2)C3CCN(C3)CCC4=CC=CC=C4

DOS

IR

Vibrations