Geometry & MOs

Info

ID:	205675
PubChem CID:	80133105
Reduced:	BrNOF2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-137.93
Dipole, Da:	3.98
IP(EA), eV:	-9.95(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantyl)cyclobutan-1-one

Drug info:

PubChemData

Smile

CCC(C)C(C)NC(=O)C1=C(C=C(C=C1F)Br)F

DOS

IR

Vibrations