Geometry & MOs

Info

ID:	210229
PubChem CID:	80776966
Reduced:	FN4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	246.128075
ΔH_f, kcal/mol:	-9.48
Dipole, Da:	2.18
IP(EA), eV:	-8.63(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=CC(=N1)N(C)CC2=CC=C(C=C2)F)C

DOS

IR

Vibrations