Geometry & MOs

Info

ID:	192175
PubChem CID:	78236464
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-165.78
Dipole, Da:	8.87
IP(EA), eV:	-9.53(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[4-(diethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCC1C(NC(NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)O)C

DOS

IR

Vibrations