Geometry & MOs

Info

ID:	214128
PubChem CID:	81086984
Reduced:	BrON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	242.199428
ΔH_f, kcal/mol:	-19.47
Dipole, Da:	1.69
IP(EA), eV:	-9.23(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-cyclohexyl-N-(2-hydroxyethyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CCC(CC(=O)N(CC1=CC=CC=C1Br)C2CC2)CN

DOS

IR

Vibrations