Geometry & MOs

Info

ID:	323485
PubChem CID:	126674973
Reduced:	ON2H14C18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	438.217952
ΔH_f, kcal/mol:	49.09
Dipole, Da:	2.58
IP(EA), eV:	-8.83(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(3S)-4-[(3-ethyl-4-fluorophenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(N=C3)N)C=O

DOS

IR

Vibrations