Geometry & MOs

Info

ID:	296553
PubChem CID:	117583422
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	268.054945
ΔH_f, kcal/mol:	43.28
Dipole, Da:	4.89
IP(EA), eV:	-8.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3)CCN

DOS

IR

Vibrations