Geometry & MOs

Info

ID:	415488
PubChem CID:	135088484
Reduced:	N4O4C17H24 (1)
Stoich.:	A4B4C17D24 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-105.98
Dipole, Da:	3.19
IP(EA), eV:	-9.38(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[(E)-3-phenylprop-2-enyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(N=CO1)C(=O)N2CCCN(CC2)C(=O)C3CC(=NO3)C(C)C

DOS

IR

Vibrations