Geometry & MOs

Info

ID:	415434
PubChem CID:	135088428
Reduced:	O5N9C34H49 (1)
Stoich.:	A5B9C34D49 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-184.07
Dipole, Da:	9.72
IP(EA), eV:	-8.62(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[1-(2,5-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC[C@H]1CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)C(=O)CN3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations