Geometry & MOs

Info

ID:	249841
PubChem CID:	103092438
Reduced:	NF6C14H15 (1)
Stoich.:	AB6C14D15 (1)
Weight, g/mol:	207.173548
ΔH_f, kcal/mol:	-299.96
Dipole, Da:	4.82
IP(EA), eV:	-9.24(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-ethyl-4-(2-propylpyrazol-3-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C=C/C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations