Geometry & MOs

Info

ID:	314878
PubChem CID:	126623875
Reduced:	FO3N5C32H34 (1)
Stoich.:	AB3C5D32E34 (1)
Weight, g/mol:	362.144886
ΔH_f, kcal/mol:	-90.17
Dipole, Da:	4.07
IP(EA), eV:	-8.41(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-adamantyl)-5-cyclopropyl-2-fluoro-3-methoxybenzoyl chloride

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)NC3=CN=CC=C3)CC(=O)N4C[C@@H](C[C@H]4C(=O)NCCCCC5=CC=CC=C5)F

DOS

IR

Vibrations