Geometry & MOs

Info

ID:	230329
PubChem CID:	87570664
Reduced:	O2N3F9H28C31 (1)
Stoich.:	A2B3C9D28E31 (1)
Weight, g/mol:	336.133474
ΔH_f, kcal/mol:	-478.32
Dipole, Da:	4.92
IP(EA), eV:	-9.71(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-4-morpholin-4-ylpteridin-6-yl)benzaldehyde

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(CC1=C(C=C(C=C1)C(F)(F)F)F)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)[C@H](C(F)F)O)C(F)(F)F

DOS

IR

Vibrations