Geometry & MOs

Info

ID:	210349
PubChem CID:	80794091
Reduced:	FN4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	276.114174
ΔH_f, kcal/mol:	-4.57
Dipole, Da:	2.11
IP(EA), eV:	-8.63(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(3-chlorophenyl)methyl]-5-ethyl-4-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=CC(=N1)N(C)CC2=CC=C(C=C2)F)C

DOS

IR

Vibrations