Geometry & MOs

Info

ID:

417262

PubChem CID:

135091867

Reduced:

O8N9C40H55 (1)

Stoich.:

A8B9C40D55 (1)

Weight, g/mol:

270.148061

ΔHf, kcal/mol:

-323.79

Dipole, Da:

11.13

IP(EA), eV:

 -8.79(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)CNC(=O)N)C(C)C

DOS

IR

Vibrations