Geometry & MOs

Info

ID:	79657
PubChem CID:	49829876
Reduced:	N3O4C23H38 (1)
Stoich.:	A3B4C23D38 (1)
Weight, g/mol:	420.26108
ΔH_f, kcal/mol:	-158.79
Dipole, Da:	6.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753268
Charge, e:	1

Chem-info

IUPAC name:

N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)N(CC2CC[NH+](CC2)CCOC)CC3CCCO3)C)C(=O)C

DOS

IR

Vibrations