Geometry & MOs

Info

ID:	415847
PubChem CID:	135088849
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	349.193632
ΔH_f, kcal/mol:	-104.57
Dipole, Da:	4.14
IP(EA), eV:	-8.98(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[1-(2-methylsulfanylethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C)C

DOS

IR

Vibrations