Geometry & MOs

Info

ID:	12295
PubChem CID:	134266
Reduced:	N2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	242.153147
ΔH_f, kcal/mol:	34.06
Dipole, Da:	1.64
IP(EA), eV:	-8.83(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butyl-5-phenylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCCC1=C(C(=NC(=N1)N)N)C2=CC=CC=C2

DOS

IR

Vibrations