Geometry & MOs

Info

ID:	126335
PubChem CID:	50960219
Reduced:	OSN3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	300.169859
ΔH_f, kcal/mol:	0.2
Dipole, Da:	2.53
IP(EA), eV:	-8.49(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN(CC1=CC=C(S1)C)C(=O)CC2=CN=C3N2C=CC=C3C

DOS

IR

Vibrations