Geometry & MOs

Info

ID:	201344
PubChem CID:	79527382
Reduced:	BrFON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-83.45
Dipole, Da:	4.13
IP(EA), eV:	-9.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(aminomethyl)cyclohexyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC(CCC1CN)C(=O)NC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations