Geometry & MOs

Info

ID:	272158
PubChem CID:	103729484
Reduced:	BrNOSC15H18 (1)
Stoich.:	ABCDE15F18 (1)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	7.73
Dipole, Da:	0.42
IP(EA), eV:	-8.84(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-propan-2-ylcyclohexyl)amino]butanamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)OC)NCCC2=CC=C(S2)Br

DOS

IR

Vibrations