Geometry & MOs

Info

ID:	1372
PubChem CID:	4255
Reduced:	O3N4C10H16 (1)
Stoich.:	A3B4C10D16 (1)
Weight, g/mol:	240.12224
ΔH_f, kcal/mol:	-49.66
Dipole, Da:	6.3
IP(EA), eV:	-9.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxy-N-(1-morpholin-4-yl-3H-pyrazol-1-ium-4-yl)methanimidate

Drug info:

PubChemData

Smile

CCOC(=NC1=C[N+](=NC1)N2CCOCC2)[O-]

DOS

IR

Vibrations