Geometry & MOs

Info

ID:	176471
PubChem CID:	76054446
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	305.185175
ΔH_f, kcal/mol:	16.08
Dipole, Da:	7.87
IP(EA), eV:	-9.52(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CCN(C(C1)CN2C=CC=N2)C(=O)C3C=CC4=NC(=O)NC4=C3

DOS

IR

Vibrations