Geometry & MOs

Info

ID:	440096
PubChem CID:	135229996
Reduced:	PN2O3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	488.190293
ΔH_f, kcal/mol:	-113.68
Dipole, Da:	2.54
IP(EA), eV:	-9.59(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-N-(2-aminoethyl)-5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]-2-methylocta-3,5,7-trienamide

Drug info:

PubChemData

Smile

CC(C)(NC(=O)CCN1C(=O)C=CC1=O)P

DOS

IR

Vibrations