Geometry & MOs

Info

ID:	333187
PubChem CID:	127251735
Reduced:	S2O3N6C15H22 (1)
Stoich.:	A2B3C6D15E22 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-57.35
Dipole, Da:	5.0
IP(EA), eV:	-8.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N1CCC(C1)C2=CC(=NN2)C(=O)NC3=NC=CS3

DOS

IR

Vibrations