Geometry & MOs

Info

ID:	182774
PubChem CID:	76936566
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	283.146681
ΔH_f, kcal/mol:	-97.64
Dipole, Da:	9.91
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-aminopyrazol-1-yl)ethylsulfanyl]-6-propyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(C)CC(=O)N(C)C)C=CC(=O)O

DOS

IR

Vibrations