Geometry & MOs

Info

ID:	310554
PubChem CID:	126582049
Reduced:	FN3O3C33H40 (1)
Stoich.:	AB3C3D33E40 (1)
Weight, g/mol:	195.075625
ΔH_f, kcal/mol:	-146.83
Dipole, Da:	3.01
IP(EA), eV:	-8.88(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-methoxy-7,8-dihydro-5H-pteridin-6-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CN2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(N=C4CO)C)CC(=O)O)N5CCC(CC5)(C)C

DOS

IR

Vibrations