Geometry & MOs

Info

ID:	229952
PubChem CID:	87569632
Reduced:	O4C23H44 (1)
Stoich.:	A4B23C44 (1)
Weight, g/mol:	358.205656
ΔH_f, kcal/mol:	-267.1
Dipole, Da:	8.61
IP(EA), eV:	-10.4(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-adamantyl)-4-[(Z)-4-amino-2-fluorobut-2-enoxy]benzamide

Drug info:

PubChemData

Smile

CCC(CC)CC(CCCCCCC(C)C(=O)O)(CC(CC)CC)C(=O)O

DOS

IR

Vibrations