Geometry & MOs

Info

ID:	442777
PubChem CID:	135256187
Reduced:	O2N8H24C25 (1)
Stoich.:	A2B8C24D25 (1)
Weight, g/mol:	196.084792
ΔH_f, kcal/mol:	79.13
Dipole, Da:	7.02
IP(EA), eV:	-9.41(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[6-(hydroxymethyl)pyridin-2-yl]amino]acetate

Drug info:

PubChemData

Smile

CCC(C)(CC(=O)O)C1=CC=CC(=N1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4)C#N)N

DOS

IR

Vibrations