Geometry & MOs

Info

ID:	419266
PubChem CID:	135107869
Reduced:	N2O3C13H13 (2)
Stoich.:	A2B3C13D13 (2)
Weight, g/mol:	332.167083
ΔH_f, kcal/mol:	-153.88
Dipole, Da:	3.54
IP(EA), eV:	-9.16(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]amino]-5,6-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C(=O)C5=CC=CN5

DOS

IR

Vibrations