Geometry & MOs

Info

ID:	315920
PubChem CID:	126629433
Reduced:	ON4C27H30 (1)
Stoich.:	AB4C27D30 (1)
Weight, g/mol:	418.169271
ΔH_f, kcal/mol:	68.08
Dipole, Da:	3.51
IP(EA), eV:	-8.94(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC#CC1=CC(=CN=C1)C2=CC3=C(CC4([C@]35N=C(C(=N5)N)C)CCC(CC4)(C)OC)C=C2

DOS

IR

Vibrations