Geometry & MOs

Info

ID:	374710
PubChem CID:	131342522
Reduced:	FNO3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	208.121178
ΔH_f, kcal/mol:	-159.03
Dipole, Da:	2.19
IP(EA), eV:	-9.21(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-4-tert-butylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)CC1=C(C(=C(C=C1)O)N)F

DOS

IR

Vibrations