Geometry & MOs

Info

ID:	340589
PubChem CID:	127262600
Reduced:	ClO2N3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	368.100836
ΔH_f, kcal/mol:	-65.28
Dipole, Da:	6.3
IP(EA), eV:	-9.8(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3,5-bis[(4-oxopyran-2-yl)methyl]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC[C@@](C)(C(=O)O)NC1=NC(=NC=C1)Cl

DOS

IR

Vibrations