Geometry & MOs

Info

ID:	27572
PubChem CID:	822246
Reduced:	BrON4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	300.133474
ΔH_f, kcal/mol:	54.88
Dipole, Da:	2.23
IP(EA), eV:	-8.92(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7R)-2-amino-6,7-dimethyl-5-(pyridine-3-carbonyl)-1,6,7,8-tetrahydropteridin-4-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=CN=C3)Br

DOS

IR

Vibrations