Geometry & MOs

Info

ID:	69195
PubChem CID:	46530402
Reduced:	ON3F4H17C24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	460.17254
ΔH_f, kcal/mol:	-129.7
Dipole, Da:	5.48
IP(EA), eV:	-9.09(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-1-adamantyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)C4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations