Geometry & MOs

Info

ID:

307392

PubChem CID:

125299768

Reduced:

ClON7C26H30 (1)

Stoich.:

ABC7D26E30 (1)

Weight, g/mol:

491.220036

ΔHf, kcal/mol:

61.22

Dipole, Da:

2.77

IP(EA), eV:

 -9.19(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-1-[4-[(3S)-3-amino-3H-indazol-6-yl]-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1CN)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC(=C(N3)Cl)C4=CC5=C(C=C4)[C@H](N=N5)N

DOS

IR

Vibrations