Geometry & MOs

Info

ID:	168357
PubChem CID:	74957234
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-23.44
Dipole, Da:	4.43
IP(EA), eV:	-8.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-4-(5-oxohept-3-en-3-ylamino)-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CCC(=NC)C(=NNC1=CC=C(C=C1)OC)C(=O)CC

DOS

IR

Vibrations