Geometry & MOs

Info

ID:	173912
PubChem CID:	75696986
Reduced:	N2O3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	211.155886
ΔH_f, kcal/mol:	-56.65
Dipole, Da:	3.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.162150
Charge, e:	1

Chem-info

IUPAC name:

[1-(1-methylpyrazol-4-yl)-2-morpholin-4-ylethyl]azanium

Drug info:

PubChemData

Smile

CC12C[NH+]3CC(C1O)(CN(C2)C3C4=CC(=C(C=C4)O)O)C5=CC=CC=C5

DOS

IR

Vibrations