Geometry & MOs

Info

ID:	322037
PubChem CID:	126668356
Reduced:	F6H16C19 (1)
Stoich.:	A6B16C19 (1)
Weight, g/mol:	454.269239
ΔH_f, kcal/mol:	-283.59
Dipole, Da:	4.99
IP(EA), eV:	-9.2(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-butoxy-8-[[3-[[cyclopropylmethyl(1-hydroxyethyl)amino]methyl]phenyl]methyl]-5,7-dihydropteridin-6-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations