Geometry & MOs

Info

ID:	333178
PubChem CID:	127251726
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	3.29
Dipole, Da:	3.79
IP(EA), eV:	-8.85(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)C2=NNC(=C2)C3CCN(C3)CC4=CC=CC=C4

DOS

IR

Vibrations