Geometry & MOs

Info

ID:	434217
PubChem CID:	135174450
Reduced:	PN4O5C10H13 (1)
Stoich.:	AB4C5D10E13 (1)
Weight, g/mol:	254.103159
ΔH_f, kcal/mol:	-214.63
Dipole, Da:	3.23
IP(EA), eV:	-9.99(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(aminomethylideneamino)-2-hydroxy-5-methylhexyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O)O)N2C=NC3=CN=CN=C32

DOS

IR

Vibrations