Geometry & MOs

Info

ID:

417985

PubChem CID:

135103218

Reduced:

N6O7C42H52 (1)

Stoich.:

A6B7C42D52 (1)

Weight, g/mol:

327.169525

ΔHf, kcal/mol:

-274.1

Dipole, Da:

11.46

IP(EA), eV:

 -9.42(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[(2-methoxy-1-pyridin-2-ylethyl)amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4)CC5=CC=CC=C5)[C@@H](C)O

DOS

IR

Vibrations