Geometry & MOs

Info

ID:	421975
PubChem CID:	135116946
Reduced:	O2F3N5C21H24 (1)
Stoich.:	A2B3C5D21E24 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-192.77
Dipole, Da:	8.43
IP(EA), eV:	-9.02(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-N-(2-methyl-1-pyridin-3-ylpropyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C3=NC=NC(=C3)N)CN(C1=O)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations