Geometry & MOs

Info

ID:	210390
PubChem CID:	80798016
Reduced:	ClON5C13H16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	19.2
Dipole, Da:	4.45
IP(EA), eV:	-9.16(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)Cl)NCC2=CC(=CC=C2)OC

DOS

IR

Vibrations