Geometry & MOs

Info

ID:	209436
PubChem CID:	80672762
Reduced:	BrNSO3C9H20 (1)
Stoich.:	ABCD3E9F20 (1)
Weight, g/mol:	327.13101
ΔH_f, kcal/mol:	-149.91
Dipole, Da:	5.14
IP(EA), eV:	-9.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclohexanamine

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)N(C)CC(COC)Br

DOS

IR

Vibrations