Geometry & MOs

Info

ID:	271236
PubChem CID:	103649599
Reduced:	SN4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	179.142248
ΔH_f, kcal/mol:	57.7
Dipole, Da:	3.06
IP(EA), eV:	-9.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpyrazol-1-yl)ethyl]but-3-en-2-amine

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNCCN2C=C(C=N2)C

DOS

IR

Vibrations