Geometry & MOs

Info

ID:	138167
PubChem CID:	52322289
Reduced:	ON2C7H7 (3)
Stoich.:	AB2C7D7 (3)
Weight, g/mol:	283.14063
ΔH_f, kcal/mol:	9.31
Dipole, Da:	7.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.147900
Charge, e:	1

Chem-info

IUPAC name:

2-hydroxyethyl-[2-[[2-[(2-methoxypyridin-3-yl)amino]-2-oxoacetyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C2=NC3=CC=CC=C3C(=N2)[O-])C(=O)C4=CC=NC=C4

DOS

IR

Vibrations