Geometry & MOs

Info

ID:	7401
PubChem CID:	72441
Reduced:	O2N7C15H15 (1)
Stoich.:	A2B7C15D15 (1)
Weight, g/mol:	325.128723
ΔH_f, kcal/mol:	23.62
Dipole, Da:	10.27
IP(EA), eV:	-8.93(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid

Drug info:

PubChemData

Smile

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations