Geometry & MOs

Info

ID:	255474
PubChem CID:	103132349
Reduced:	NC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	179.142248
ΔH_f, kcal/mol:	57.0
Dipole, Da:	2.94
IP(EA), eV:	-9.11(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-ethyl-4-(1-methylpyrazol-3-yl)but-3-en-1-amine

Drug info:

PubChemData

Smile

CNCC/C=C/C1=CC=CC2=C1C=NC=C2

DOS

IR

Vibrations