Geometry & MOs

Info

ID:	228380
PubChem CID:	87564139
Reduced:	NO3H7C11 (1)
Stoich.:	AB3C7D11 (1)
Weight, g/mol:	252.114174
ΔH_f, kcal/mol:	53.18
Dipole, Da:	5.45
IP(EA), eV:	-9.48(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(2-cyclopropylpiperidin-1-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(=O)OOC1=C(C=C(C=C1)C#N)C#C

DOS

IR

Vibrations