Geometry & MOs

Info

ID:	45722
PubChem CID:	10516987
Reduced:	O3N4H10C14 (1)
Stoich.:	A3B4C10D14 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	57.62
Dipole, Da:	5.26
IP(EA), eV:	-9.23(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1E)-N-[4-cyano-2-(3-phenylpropyl)pyrazol-3-yl]methanimidate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(=N2)C(=O)N/N=C/C3=CC=CO3

DOS

IR

Vibrations