Geometry & MOs

Info

ID:	426095
PubChem CID:	135137315
Reduced:	ON5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	397.161086
ΔH_f, kcal/mol:	-7.75
Dipole, Da:	3.38
IP(EA), eV:	-9.86(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-N-(3-hydrazinyl-3-oxopropyl)benzamide

Drug info:

PubChemData

Smile

CC(C)C1=NNC(=N1)C(C)CCC(C)C2=NN=C(O2)C(C)C

DOS

IR

Vibrations