Geometry & MOs

Info

ID:	336039
PubChem CID:	127255046
Reduced:	N4O4H28C29 (1)
Stoich.:	A4B4C28D29 (1)
Weight, g/mol:	299.138225
ΔH_f, kcal/mol:	-87.48
Dipole, Da:	7.41
IP(EA), eV:	-8.58(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-(pyridin-2-ylmethylamino)butyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CNC(=O)CC[C@H]2C(=O)NC3=CC=CC=C3C(=O)N2)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations