Geometry & MOs

Info

ID:	247647
PubChem CID:	103072549
Reduced:	IN3C8H12 (1)
Stoich.:	AB3C8D12 (1)
Weight, g/mol:	207.173548
ΔH_f, kcal/mol:	73.25
Dipole, Da:	3.78
IP(EA), eV:	-9.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(3-methylpyrazol-1-yl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CNCC(=C)CN1C=C(C=N1)I

DOS

IR

Vibrations