Geometry & MOs

Info

ID:	145769
PubChem CID:	53590749
Reduced:	ClSN2O2C16H23 (1)
Stoich.:	ABC2D2E16F23 (1)
Weight, g/mol:	207.173548
ΔH_f, kcal/mol:	-82.31
Dipole, Da:	6.46
IP(EA), eV:	-9.17(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylprop-2-enyl)-3-(4-methylpyrazol-1-yl)butan-2-amine

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CS(=O)(=O)CC2NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations