Geometry & MOs

Info

ID:	195642
PubChem CID:	78714417
Reduced:	N2O4C21H29 (1)
Stoich.:	A2B4C21D29 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-145.17
Dipole, Da:	4.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.872579
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-phenylbutanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C[NH+](C)C(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C

DOS

IR

Vibrations