Geometry & MOs

Info

ID:	27573
PubChem CID:	822251
Reduced:	ON3C7H8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	300.133474
ΔH_f, kcal/mol:	-8.54
Dipole, Da:	11.16
IP(EA), eV:	-9.02(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](N(C2=C(N1)NC(=NC2=O)N)C(=O)C3=CN=CC=C3)C

DOS

IR

Vibrations