Geometry & MOs

Info

ID:	201902
PubChem CID:	79601624
Reduced:	BrSN2C14H23 (1)
Stoich.:	ABC2D14E23 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	11.77
Dipole, Da:	2.01
IP(EA), eV:	-8.23(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-N-(2-hydroxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(C1=CSC=C1Br)N)N2CCCCCC2

DOS

IR

Vibrations