Geometry & MOs

Info

ID:	165657
PubChem CID:	74579980
Reduced:	N2O3C21H35 (1)
Stoich.:	A2B3C21D35 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-104.79
Dipole, Da:	2.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761541
Charge, e:	0

Chem-info

IUPAC name:

6-(methoxymethyl)-2-[4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)O)CN2CC[NH+](C(C2)CCO)CC3CCCCC3

DOS

IR

Vibrations