Geometry & MOs

Info

ID:	70183
PubChem CID:	47211571
Reduced:	ClION4H12C13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	311.034065
ΔH_f, kcal/mol:	32.74
Dipole, Da:	2.95
IP(EA), eV:	-9.12(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)NCCNC(=O)C2=C(C=CC(=C2)Cl)I

DOS

IR

Vibrations