Geometry & MOs

Info

ID:	210284
PubChem CID:	80784827
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-0.61
Dipole, Da:	2.17
IP(EA), eV:	-8.12(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(4-methoxyphenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=CC=C1)NCCC2=CC=C(C=C2)OC

DOS

IR

Vibrations