Geometry & MOs

Info

ID:	200096
PubChem CID:	79346988
Reduced:	NOC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	227.142248
ΔH_f, kcal/mol:	-3.93
Dipole, Da:	3.23
IP(EA), eV:	-8.37(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)CNCC=CC1=CC2=C(C=C1)C=C(C=C2)OC

DOS

IR

Vibrations