Geometry & MOs

Info

ID:	247584
PubChem CID:	103072309
Reduced:	N3C14H17 (1)
Stoich.:	A3B14C17 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	80.97
Dipole, Da:	1.74
IP(EA), eV:	-8.79(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(4-phenylpyrazol-1-yl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CNCC(=C)CN1C=C(C=N1)C2=CC=CC=C2

DOS

IR

Vibrations