Geometry & MOs

Info

ID:	272360
PubChem CID:	103740395
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	265.215413
ΔH_f, kcal/mol:	-82.9
Dipole, Da:	2.99
IP(EA), eV:	-8.93(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexyl]methanol

Drug info:

PubChemData

Smile

C1CCC(C1)(CO)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations