Geometry & MOs

Info

ID:	68936
PubChem CID:	46512956
Reduced:	BrN3O4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	395.175753
ΔH_f, kcal/mol:	-118.68
Dipole, Da:	3.52
IP(EA), eV:	-8.77(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Br)C(=O)NCC2=CC=C(C=C2)NC(=O)N)OC

DOS

IR

Vibrations