Geometry & MOs

Info

ID:	417659
PubChem CID:	135102399
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	443.222035
ΔH_f, kcal/mol:	-89.34
Dipole, Da:	6.4
IP(EA), eV:	-9.4(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[(2-hydroxy-2-adamantyl)methyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C(=O)N(CCO)CC2=CN=CN2C

DOS

IR

Vibrations