Geometry & MOs

Info

ID:	175774
PubChem CID:	75945598
Reduced:	N3O5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-169.32
Dipole, Da:	3.21
IP(EA), eV:	-8.14(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CC(=C(C=C3OC)OC)OC

DOS

IR

Vibrations