Geometry & MOs

Info

ID:	216502
PubChem CID:	85086326
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	274.164105
ΔH_f, kcal/mol:	-90.94
Dipole, Da:	5.75
IP(EA), eV:	-9.59(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[1-[(5-amino-6-hydroxyoxan-3-yl)amino]-1-oxopropan-2-yl]propanamide

Drug info:

PubChemData

Smile

COC(=O)C1CCCN(C1)C(=O)C=CC2=CC=NC=C2

DOS

IR

Vibrations