Geometry & MOs

Info

ID:

410709

PubChem CID:

135083510

Reduced:

P2N7O14C21H26 (1)

Stoich.:

A2B7C14D21E26 (1)

Weight, g/mol:

215.107692

ΔHf, kcal/mol:

-553.21

Dipole, Da:

18.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760064

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-pentylphenol;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=C[N+](=C1)[C@@H]2C([C@@H]([C@@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3C([C@@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N

DOS

IR

Vibrations