Geometry & MOs

Info

ID:	315884
PubChem CID:	126629272
Reduced:	OSN2H12C13 (2)
Stoich.:	ABC2D12E13 (2)
Weight, g/mol:	420.184921
ΔH_f, kcal/mol:	33.09
Dipole, Da:	5.93
IP(EA), eV:	-8.85(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCOC2=CC3=C(C=C2)C=C(C=C3)C(=O)NC4=NC5=C(S4)C6=C(C=C5)SC=N6

DOS

IR

Vibrations