Geometry & MOs

Info

ID:	271847
PubChem CID:	103694307
Reduced:	ClO2N3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	206.035924
ΔH_f, kcal/mol:	-91.18
Dipole, Da:	4.58
IP(EA), eV:	-8.78(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloropyridin-2-yl)pyrimidin-5-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=NC=C2)Cl

DOS

IR

Vibrations