Geometry & MOs

Info

ID:	186758
PubChem CID:	77479823
Reduced:	BrON3C25H26 (1)
Stoich.:	ABC3D25E26 (1)
Weight, g/mol:	467.203191
ΔH_f, kcal/mol:	43.57
Dipole, Da:	6.1
IP(EA), eV:	-8.41(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-adamantyl)-4-[4-(trifluoromethoxy)phenyl]morpholine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)N=C3N2C4CCCCC4N3C5=CC6=C(C=C5)OC7=C6C=C(C=C7)Br

DOS

IR

Vibrations