Geometry & MOs

Info

ID:	383339
PubChem CID:	134975010
Reduced:	PSN2O4C15H23 (1)
Stoich.:	ABC2D4E15F23 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-202.07
Dipole, Da:	2.91
IP(EA), eV:	-8.88(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-(6-aminohexanoyl)-1-methyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CCOP(=O)(C1(CCSC1)NNC(=O)C2=CC=CC=C2)OCC

DOS

IR

Vibrations