Geometry & MOs

Info

ID:	404367
PubChem CID:	135066035
Reduced:	N2O2C9H10 (2)
Stoich.:	A2B2C9D10 (2)
Weight, g/mol:	146.118104
ΔH_f, kcal/mol:	-78.95
Dipole, Da:	7.51
IP(EA), eV:	-8.26(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-methoxy-4-methyl-1-oxopentan-3-yl)azanium

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CNC2=CC3=C(C=C2)NC(=NC3=O)N)OC)OC

DOS

IR

Vibrations