Geometry & MOs

Info

ID:	442771
PubChem CID:	135256173
Reduced:	ON4C13H13 (2)
Stoich.:	AB4C13D13 (2)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	67.98
Dipole, Da:	12.95
IP(EA), eV:	-9.38(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-(hydroxymethyl)pyridin-2-yl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=CC(=NC(=N2)N)C3=CN(N=N3)CC4=NC(=CC=C4)C(C)(C)CCC(=O)O)C#N

DOS

IR

Vibrations