Geometry & MOs

Info

ID:	143308
PubChem CID:	53185095
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-72.79
Dipole, Da:	4.08
IP(EA), eV:	-8.87(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CN2CCN(CC2)C(=O)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations