Geometry & MOs

Info

ID:	43012
PubChem CID:	10317761
Reduced:	N2O2H22C25 (1)
Stoich.:	A2B2C22D25 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	34.13
Dipole, Da:	5.5
IP(EA), eV:	-8.04(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(2R)-1-methoxybutan-2-yl]-4-(4-methoxy-2,5-dimethylphenyl)-6-methylpteridin-7-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(N=C(N2)/C=C/C3=CC=CC=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations