Geometry & MOs

Info

ID:	230194
PubChem CID:	87570397
Reduced:	O3F6C16H20 (1)
Stoich.:	A3B6C16D20 (1)
Weight, g/mol:	310.117824
ΔH_f, kcal/mol:	-393.98
Dipole, Da:	4.41
IP(EA), eV:	-8.56(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-amino-4-ethoxypteridin-6-yl)phenyl]formamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)OC(CC1CC2=CCC1C2)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations