Geometry & MOs

Info

ID:	296091
PubChem CID:	117555835
Reduced:	FN4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	12.23
Dipole, Da:	1.86
IP(EA), eV:	-8.97(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylaminomethyl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNCCC1=NC=CC(=N1)NC2=CC(=CC=C2)F

DOS

IR

Vibrations