Geometry & MOs

Info

ID:

164221

PubChem CID:

74382389

Reduced:

N11O12C37H59 (1)

Stoich.:

A11B12C37D59 (1)

Weight, g/mol:

347.257277

ΔHf, kcal/mol:

-559.17

Dipole, Da:

6.79

IP(EA), eV:

 -9.57(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-aminoethylamino)-4-methoxyphenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)CNC(=O)C(CC1=CN=CN1)NC(=O)C(C)NC(=O)C2CCCN2C(=O)C3CCCN3C(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CO)N

DOS

IR

Vibrations