Geometry & MOs

Info

ID:	49442
PubChem CID:	11533029
Reduced:	Cl2O2N5C23H27 (1)
Stoich.:	A2B2C5D23E27 (1)
Weight, g/mol:	476.144432
ΔH_f, kcal/mol:	-2.2
Dipole, Da:	2.77
IP(EA), eV:	-8.46(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-3-N,5-N-bis(5-methyl-1,2-oxazol-3-yl)-4-(4-nitrophenyl)pyridine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

COC1=C2C=CC=CN2N=C1C(=O)NCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations